Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 0:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaxSbO3x2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 35 10 2588 1139 176 Max 63 36 12 2593 1158 181 Sum 2233 1285 379 93255 41159 6367 bravais-lattice index = 14 lattice parameter (alat) = 10.0224 a.u. unit-cell volume = 946.9046 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.022351 celldm(2)= 1.000000 celldm(3)= 1.086092 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.086092 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.920732 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0035336 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0035336 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035336 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0035336 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0035336 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0035336 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035336 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0035336 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0035336 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0035336 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035336 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0035336 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0035336 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0035336 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0035336 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035336 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0035336 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0035336 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0035336 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0035336 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0035336 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0035336 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0035336 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0035336 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0035336 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0035336 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035336 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0035336 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0035336 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0035336 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0035336 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035336 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0035336 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0035336 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0035336 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0035336 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035336 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0035336 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0035336 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0035336 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0035336 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0035336 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0035336 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0035336 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0035336 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0035336 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0035336 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0035336 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0035336 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0035336 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035336 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0035336 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0035336 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0035336 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0035336 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0035336 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0035336 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0035336 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0035336 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0035336 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035336 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0035336 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0035336 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0035336 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0035336 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0035336 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0035336 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0035336 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0035336 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0035336 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035336 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0035336 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0035336 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0035336 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0035336 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0035336 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0035336 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0035336 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0035336 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0035336 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 100) = ( 0.0000000 0.0000000 0.0164416), wk = 0.0035336 k( 101) = ( 0.0000000 0.0000000 0.0328833), wk = 0.0035336 k( 102) = ( 0.0000000 0.0000000 0.0493249), wk = 0.0035336 k( 103) = ( 0.0000000 0.0000000 0.0657666), wk = 0.0035336 k( 104) = ( 0.0000000 0.0000000 0.0822082), wk = 0.0035336 k( 105) = ( 0.0000000 0.0000000 0.0986499), wk = 0.0035336 k( 106) = ( 0.0000000 0.0000000 0.1150915), wk = 0.0035336 k( 107) = ( 0.0000000 0.0000000 0.1315331), wk = 0.0035336 k( 108) = ( 0.0000000 0.0000000 0.1479748), wk = 0.0035336 k( 109) = ( 0.0000000 0.0000000 0.1644164), wk = 0.0035336 k( 110) = ( 0.0000000 0.0000000 0.1808581), wk = 0.0035336 k( 111) = ( 0.0000000 0.0000000 0.1972997), wk = 0.0035336 k( 112) = ( 0.0000000 0.0000000 0.2137413), wk = 0.0035336 k( 113) = ( 0.0000000 0.0000000 0.2301830), wk = 0.0035336 k( 114) = ( 0.0000000 0.0000000 0.2466246), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.2630663), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.2795079), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.2959495), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.3123912), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.3288328), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.3452745), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.3617161), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.3781578), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.3945994), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.4110410), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.4274827), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.4439243), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.4603660), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.4603660), wk = 0.0035336 k( 129) = ( 0.0142857 0.0082479 0.4603660), wk = 0.0035336 k( 130) = ( 0.0285714 0.0164957 0.4603660), wk = 0.0035336 k( 131) = ( 0.0428571 0.0247436 0.4603660), wk = 0.0035336 k( 132) = ( 0.0571429 0.0329914 0.4603660), wk = 0.0035336 k( 133) = ( 0.0714286 0.0412393 0.4603660), wk = 0.0035336 k( 134) = ( 0.0857143 0.0494872 0.4603660), wk = 0.0035336 k( 135) = ( 0.1000000 0.0577350 0.4603660), wk = 0.0035336 k( 136) = ( 0.1142857 0.0659829 0.4603660), wk = 0.0035336 k( 137) = ( 0.1285714 0.0742307 0.4603660), wk = 0.0035336 k( 138) = ( 0.1428571 0.0824786 0.4603660), wk = 0.0035336 k( 139) = ( 0.1571429 0.0907265 0.4603660), wk = 0.0035336 k( 140) = ( 0.1714286 0.0989743 0.4603660), wk = 0.0035336 k( 141) = ( 0.1857143 0.1072222 0.4603660), wk = 0.0035336 k( 142) = ( 0.2000000 0.1154701 0.4603660), wk = 0.0035336 k( 143) = ( 0.2142857 0.1237179 0.4603660), wk = 0.0035336 k( 144) = ( 0.2285714 0.1319658 0.4603660), wk = 0.0035336 k( 145) = ( 0.2428571 0.1402136 0.4603660), wk = 0.0035336 k( 146) = ( 0.2571429 0.1484615 0.4603660), wk = 0.0035336 k( 147) = ( 0.2714286 0.1567094 0.4603660), wk = 0.0035336 k( 148) = ( 0.2857143 0.1649572 0.4603660), wk = 0.0035336 k( 149) = ( 0.3000000 0.1732051 0.4603660), wk = 0.0035336 k( 150) = ( 0.3142857 0.1814529 0.4603660), wk = 0.0035336 k( 151) = ( 0.3285714 0.1897008 0.4603660), wk = 0.0035336 k( 152) = ( 0.3428571 0.1979487 0.4603660), wk = 0.0035336 k( 153) = ( 0.3571429 0.2061965 0.4603660), wk = 0.0035336 k( 154) = ( 0.3714286 0.2144444 0.4603660), wk = 0.0035336 k( 155) = ( 0.3857143 0.2226922 0.4603660), wk = 0.0035336 k( 156) = ( 0.4000000 0.2309401 0.4603660), wk = 0.0035336 k( 157) = ( 0.4142857 0.2391880 0.4603660), wk = 0.0035336 k( 158) = ( 0.4285714 0.2474358 0.4603660), wk = 0.0035336 k( 159) = ( 0.4428571 0.2556837 0.4603660), wk = 0.0035336 k( 160) = ( 0.4571429 0.2639316 0.4603660), wk = 0.0035336 k( 161) = ( 0.4714286 0.2721794 0.4603660), wk = 0.0035336 k( 162) = ( 0.4857143 0.2804273 0.4603660), wk = 0.0035336 k( 163) = ( 0.5000000 0.2886751 0.4603660), wk = 0.0035336 k( 164) = ( 0.5000000 0.2886751 0.4603660), wk = 0.0035336 k( 165) = ( 0.4916667 0.3031089 0.4603660), wk = 0.0035336 k( 166) = ( 0.4833333 0.3175426 0.4603660), wk = 0.0035336 k( 167) = ( 0.4750000 0.3319764 0.4603660), wk = 0.0035336 k( 168) = ( 0.4666667 0.3464102 0.4603660), wk = 0.0035336 k( 169) = ( 0.4583333 0.3608439 0.4603660), wk = 0.0035336 k( 170) = ( 0.4500000 0.3752777 0.4603660), wk = 0.0035336 k( 171) = ( 0.4416667 0.3897114 0.4603660), wk = 0.0035336 k( 172) = ( 0.4333333 0.4041452 0.4603660), wk = 0.0035336 k( 173) = ( 0.4250000 0.4185789 0.4603660), wk = 0.0035336 k( 174) = ( 0.4166667 0.4330127 0.4603660), wk = 0.0035336 k( 175) = ( 0.4083333 0.4474465 0.4603660), wk = 0.0035336 k( 176) = ( 0.4000000 0.4618802 0.4603660), wk = 0.0035336 k( 177) = ( 0.3916667 0.4763140 0.4603660), wk = 0.0035336 k( 178) = ( 0.3833333 0.4907477 0.4603660), wk = 0.0035336 k( 179) = ( 0.3750000 0.5051815 0.4603660), wk = 0.0035336 k( 180) = ( 0.3666667 0.5196152 0.4603660), wk = 0.0035336 k( 181) = ( 0.3583333 0.5340490 0.4603660), wk = 0.0035336 k( 182) = ( 0.3500000 0.5484828 0.4603660), wk = 0.0035336 k( 183) = ( 0.3416667 0.5629165 0.4603660), wk = 0.0035336 k( 184) = ( 0.3333333 0.5773503 0.4603660), wk = 0.0035336 k( 185) = ( 0.3333333 0.5773503 0.4603660), wk = 0.0035336 k( 186) = ( 0.3250000 0.5629165 0.4603660), wk = 0.0035336 k( 187) = ( 0.3166667 0.5484828 0.4603660), wk = 0.0035336 k( 188) = ( 0.3083333 0.5340490 0.4603660), wk = 0.0035336 k( 189) = ( 0.3000000 0.5196152 0.4603660), wk = 0.0035336 k( 190) = ( 0.2916667 0.5051815 0.4603660), wk = 0.0035336 k( 191) = ( 0.2833333 0.4907477 0.4603660), wk = 0.0035336 k( 192) = ( 0.2750000 0.4763140 0.4603660), wk = 0.0035336 k( 193) = ( 0.2666667 0.4618802 0.4603660), wk = 0.0035336 k( 194) = ( 0.2583333 0.4474465 0.4603660), wk = 0.0035336 k( 195) = ( 0.2500000 0.4330127 0.4603660), wk = 0.0035336 k( 196) = ( 0.2416667 0.4185790 0.4603660), wk = 0.0035336 k( 197) = ( 0.2333333 0.4041452 0.4603660), wk = 0.0035336 k( 198) = ( 0.2250000 0.3897114 0.4603660), wk = 0.0035336 k( 199) = ( 0.2166667 0.3752777 0.4603660), wk = 0.0035336 k( 200) = ( 0.2083333 0.3608439 0.4603660), wk = 0.0035336 k( 201) = ( 0.2000000 0.3464102 0.4603660), wk = 0.0035336 k( 202) = ( 0.1916667 0.3319764 0.4603660), wk = 0.0035336 k( 203) = ( 0.1833333 0.3175426 0.4603660), wk = 0.0035336 k( 204) = ( 0.1750000 0.3031089 0.4603660), wk = 0.0035336 k( 205) = ( 0.1666667 0.2886751 0.4603660), wk = 0.0035336 k( 206) = ( 0.1583333 0.2742414 0.4603660), wk = 0.0035336 k( 207) = ( 0.1500000 0.2598076 0.4603660), wk = 0.0035336 k( 208) = ( 0.1416667 0.2453739 0.4603660), wk = 0.0035336 k( 209) = ( 0.1333333 0.2309401 0.4603660), wk = 0.0035336 k( 210) = ( 0.1250000 0.2165064 0.4603660), wk = 0.0035336 k( 211) = ( 0.1166667 0.2020726 0.4603660), wk = 0.0035336 k( 212) = ( 0.1083333 0.1876388 0.4603660), wk = 0.0035336 k( 213) = ( 0.1000000 0.1732051 0.4603660), wk = 0.0035336 k( 214) = ( 0.0916667 0.1587713 0.4603660), wk = 0.0035336 k( 215) = ( 0.0833333 0.1443376 0.4603660), wk = 0.0035336 k( 216) = ( 0.0750000 0.1299038 0.4603660), wk = 0.0035336 k( 217) = ( 0.0666667 0.1154701 0.4603660), wk = 0.0035336 k( 218) = ( 0.0583333 0.1010363 0.4603660), wk = 0.0035336 k( 219) = ( 0.0500000 0.0866025 0.4603660), wk = 0.0035336 k( 220) = ( 0.0416667 0.0721688 0.4603660), wk = 0.0035336 k( 221) = ( 0.0333333 0.0577350 0.4603660), wk = 0.0035336 k( 222) = ( 0.0250000 0.0433013 0.4603660), wk = 0.0035336 k( 223) = ( 0.0166667 0.0288675 0.4603660), wk = 0.0035336 k( 224) = ( 0.0083333 0.0144338 0.4603660), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.4603660), wk = 0.0035336 k( 226) = ( 0.5000000 0.2886751 0.4603660), wk = 0.0035336 k( 227) = ( 0.5000000 0.2886751 0.4439243), wk = 0.0035336 k( 228) = ( 0.5000000 0.2886751 0.4274827), wk = 0.0035336 k( 229) = ( 0.5000000 0.2886751 0.4110410), wk = 0.0035336 k( 230) = ( 0.5000000 0.2886751 0.3945994), wk = 0.0035336 k( 231) = ( 0.5000000 0.2886751 0.3781578), wk = 0.0035336 k( 232) = ( 0.5000000 0.2886751 0.3617161), wk = 0.0035336 k( 233) = ( 0.5000000 0.2886751 0.3452745), wk = 0.0035336 k( 234) = ( 0.5000000 0.2886751 0.3288328), wk = 0.0035336 k( 235) = ( 0.5000000 0.2886751 0.3123912), wk = 0.0035336 k( 236) = ( 0.5000000 0.2886751 0.2959495), wk = 0.0035336 k( 237) = ( 0.5000000 0.2886751 0.2795079), wk = 0.0035336 k( 238) = ( 0.5000000 0.2886751 0.2630663), wk = 0.0035336 k( 239) = ( 0.5000000 0.2886751 0.2466246), wk = 0.0035336 k( 240) = ( 0.5000000 0.2886751 0.2301830), wk = 0.0035336 k( 241) = ( 0.5000000 0.2886751 0.2137413), wk = 0.0035336 k( 242) = ( 0.5000000 0.2886751 0.1972997), wk = 0.0035336 k( 243) = ( 0.5000000 0.2886751 0.1808581), wk = 0.0035336 k( 244) = ( 0.5000000 0.2886751 0.1644164), wk = 0.0035336 k( 245) = ( 0.5000000 0.2886751 0.1479748), wk = 0.0035336 k( 246) = ( 0.5000000 0.2886751 0.1315331), wk = 0.0035336 k( 247) = ( 0.5000000 0.2886751 0.1150915), wk = 0.0035336 k( 248) = ( 0.5000000 0.2886751 0.0986499), wk = 0.0035336 k( 249) = ( 0.5000000 0.2886751 0.0822082), wk = 0.0035336 k( 250) = ( 0.5000000 0.2886751 0.0657666), wk = 0.0035336 k( 251) = ( 0.5000000 0.2886751 0.0493249), wk = 0.0035336 k( 252) = ( 0.5000000 0.2886751 0.0328833), wk = 0.0035336 k( 253) = ( 0.5000000 0.2886751 0.0164416), wk = 0.0035336 k( 254) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 255) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 256) = ( 0.3333333 0.5773503 0.0164416), wk = 0.0035336 k( 257) = ( 0.3333333 0.5773503 0.0328833), wk = 0.0035336 k( 258) = ( 0.3333333 0.5773503 0.0493249), wk = 0.0035336 k( 259) = ( 0.3333333 0.5773503 0.0657666), wk = 0.0035336 k( 260) = ( 0.3333333 0.5773503 0.0822082), wk = 0.0035336 k( 261) = ( 0.3333333 0.5773503 0.0986499), wk = 0.0035336 k( 262) = ( 0.3333333 0.5773503 0.1150915), wk = 0.0035336 k( 263) = ( 0.3333333 0.5773503 0.1315331), wk = 0.0035336 k( 264) = ( 0.3333333 0.5773503 0.1479748), wk = 0.0035336 k( 265) = ( 0.3333333 0.5773503 0.1644164), wk = 0.0035336 k( 266) = ( 0.3333333 0.5773503 0.1808581), wk = 0.0035336 k( 267) = ( 0.3333333 0.5773503 0.1972997), wk = 0.0035336 k( 268) = ( 0.3333333 0.5773503 0.2137413), wk = 0.0035336 k( 269) = ( 0.3333333 0.5773503 0.2301830), wk = 0.0035336 k( 270) = ( 0.3333333 0.5773503 0.2466246), wk = 0.0035336 k( 271) = ( 0.3333333 0.5773503 0.2630663), wk = 0.0035336 k( 272) = ( 0.3333333 0.5773503 0.2795079), wk = 0.0035336 k( 273) = ( 0.3333333 0.5773503 0.2959495), wk = 0.0035336 k( 274) = ( 0.3333333 0.5773503 0.3123912), wk = 0.0035336 k( 275) = ( 0.3333333 0.5773503 0.3288328), wk = 0.0035336 k( 276) = ( 0.3333333 0.5773503 0.3452745), wk = 0.0035336 k( 277) = ( 0.3333333 0.5773503 0.3617161), wk = 0.0035336 k( 278) = ( 0.3333333 0.5773503 0.3781578), wk = 0.0035336 k( 279) = ( 0.3333333 0.5773503 0.3945994), wk = 0.0035336 k( 280) = ( 0.3333333 0.5773503 0.4110410), wk = 0.0035336 k( 281) = ( 0.3333333 0.5773503 0.4274827), wk = 0.0035336 k( 282) = ( 0.3333333 0.5773503 0.4439243), wk = 0.0035336 k( 283) = ( 0.3333333 0.5773503 0.4603660), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0035336 k( 3) = ( 0.0285714 0.0000000 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0035336 k( 5) = ( 0.0571429 0.0000000 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0035336 k( 7) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0035336 k( 8) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0035336 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1285714 -0.0000000 0.0000000), wk = 0.0035336 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0035336 k( 12) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0035336 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0035336 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0035336 k( 15) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0035336 k( 16) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0035336 k( 17) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0035336 k( 18) = ( 0.2428571 0.0000000 0.0000000), wk = 0.0035336 k( 19) = ( 0.2571429 -0.0000000 0.0000000), wk = 0.0035336 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0035336 k( 21) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0035336 k( 22) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0035336 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0035336 k( 24) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0035336 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0035336 k( 26) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0035336 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0035336 k( 28) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0035336 k( 29) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0035336 k( 30) = ( 0.4142857 -0.0000000 0.0000000), wk = 0.0035336 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0035336 k( 33) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0035336 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0035336 k( 35) = ( 0.4857143 0.0000000 -0.0000000), wk = 0.0035336 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0035336 k( 39) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0035336 k( 40) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0035336 k( 41) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0035336 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0035336 k( 43) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0035336 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0035336 k( 45) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0035336 k( 46) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0035336 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0035336 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0035336 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0035336 k( 50) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0035336 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0035336 k( 52) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0035336 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0035336 k( 54) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0035336 k( 55) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0035336 k( 56) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0035336 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0035336 k( 60) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0035336 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0035336 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0035336 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0035336 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0035336 k( 65) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0035336 k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0035336 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0035336 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035336 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0035336 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0035336 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0035336 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0035336 k( 73) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0035336 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0035336 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0035336 k( 76) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0035336 k( 77) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0035336 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035336 k( 79) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0035336 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0035336 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0035336 k( 82) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0035336 k( 83) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035336 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0035336 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0035336 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0035336 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0035336 k( 88) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0035336 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0035336 k( 90) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0035336 k( 91) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0035336 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0035336 k( 93) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0035336 k( 94) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0035336 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0035336 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0035336 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0035336 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 100) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0035336 k( 101) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0035336 k( 102) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0035336 k( 103) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0035336 k( 104) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0035336 k( 105) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0035336 k( 106) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035336 k( 107) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0035336 k( 108) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0035336 k( 109) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0035336 k( 110) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0035336 k( 111) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0035336 k( 112) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0035336 k( 113) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035336 k( 114) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 129) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0035336 k( 130) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0035336 k( 131) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0035336 k( 132) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0035336 k( 133) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0035336 k( 134) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0035336 k( 135) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0035336 k( 136) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0035336 k( 137) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0035336 k( 138) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0035336 k( 139) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0035336 k( 140) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0035336 k( 141) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0035336 k( 142) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0035336 k( 143) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0035336 k( 144) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0035336 k( 145) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0035336 k( 146) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0035336 k( 147) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0035336 k( 148) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0035336 k( 149) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0035336 k( 150) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0035336 k( 151) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0035336 k( 152) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0035336 k( 153) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0035336 k( 154) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0035336 k( 155) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0035336 k( 156) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0035336 k( 157) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0035336 k( 158) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0035336 k( 159) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0035336 k( 160) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0035336 k( 161) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0035336 k( 162) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0035336 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 165) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0035336 k( 166) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0035336 k( 167) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0035336 k( 168) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0035336 k( 169) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035336 k( 170) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0035336 k( 171) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0035336 k( 172) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0035336 k( 173) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0035336 k( 174) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035336 k( 175) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0035336 k( 176) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0035336 k( 177) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0035336 k( 178) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0035336 k( 179) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035336 k( 180) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0035336 k( 181) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0035336 k( 182) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0035336 k( 183) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0035336 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 186) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0035336 k( 187) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0035336 k( 188) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0035336 k( 189) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0035336 k( 190) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0035336 k( 191) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0035336 k( 192) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0035336 k( 193) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0035336 k( 194) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0035336 k( 195) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035336 k( 196) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0035336 k( 197) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0035336 k( 198) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0035336 k( 199) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0035336 k( 200) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0035336 k( 201) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0035336 k( 202) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0035336 k( 203) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0035336 k( 204) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0035336 k( 205) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035336 k( 206) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0035336 k( 207) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0035336 k( 208) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0035336 k( 209) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0035336 k( 210) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0035336 k( 211) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0035336 k( 212) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0035336 k( 213) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0035336 k( 214) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0035336 k( 215) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035336 k( 216) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0035336 k( 217) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0035336 k( 218) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0035336 k( 219) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0035336 k( 220) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0035336 k( 221) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0035336 k( 222) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0035336 k( 223) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0035336 k( 224) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 227) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0035336 k( 228) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0035336 k( 229) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0035336 k( 230) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0035336 k( 231) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0035336 k( 232) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0035336 k( 233) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0035336 k( 234) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0035336 k( 235) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0035336 k( 236) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0035336 k( 237) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0035336 k( 238) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0035336 k( 239) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0035336 k( 240) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035336 k( 241) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0035336 k( 242) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0035336 k( 243) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0035336 k( 244) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0035336 k( 245) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0035336 k( 246) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0035336 k( 247) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0035336 k( 248) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0035336 k( 249) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0035336 k( 250) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0035336 k( 251) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0035336 k( 252) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0035336 k( 253) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0035336 k( 254) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 255) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 256) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0035336 k( 257) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0035336 k( 258) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0035336 k( 259) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0035336 k( 260) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0035336 k( 261) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0035336 k( 262) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0035336 k( 263) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0035336 k( 264) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0035336 k( 265) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0035336 k( 266) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0035336 k( 267) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0035336 k( 268) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0035336 k( 269) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035336 k( 270) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0035336 k( 271) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0035336 k( 272) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0035336 k( 273) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0035336 k( 274) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0035336 k( 275) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0035336 k( 276) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0035336 k( 277) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0035336 k( 278) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0035336 k( 279) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0035336 k( 280) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0035336 k( 281) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0035336 k( 282) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0035336 k( 283) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 Dense grid: 93255 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 41159 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 286, 68) NL pseudopotentials 0.41 Mb ( 143, 187) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2592) G-vector shells 0.01 Mb ( 1149) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 286, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.39 Mb ( 187, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaxSbO3x2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 14.1 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.2 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 total cpu time spent up to now is 22.3 secs Computing kpt #: 20 total cpu time spent up to now is 23.4 secs Computing kpt #: 21 total cpu time spent up to now is 24.4 secs Computing kpt #: 22 total cpu time spent up to now is 25.5 secs Computing kpt #: 23 total cpu time spent up to now is 26.6 secs Computing kpt #: 24 total cpu time spent up to now is 27.7 secs Computing kpt #: 25 total cpu time spent up to now is 28.8 secs Computing kpt #: 26 total cpu time spent up to now is 29.9 secs Computing kpt #: 27 total cpu time spent up to now is 31.1 secs Computing kpt #: 28 total cpu time spent up to now is 32.4 secs Computing kpt #: 29 total cpu time spent up to now is 33.6 secs Computing kpt #: 30 total cpu time spent up to now is 35.0 secs Computing kpt #: 31 total cpu time spent up to now is 36.5 secs Computing kpt #: 32 total cpu time spent up to now is 38.1 secs Computing kpt #: 33 total cpu time spent up to now is 39.7 secs Computing kpt #: 34 total cpu time spent up to now is 41.3 secs Computing kpt #: 35 total cpu time spent up to now is 42.7 secs Computing kpt #: 36 total cpu time spent up to now is 44.0 secs Computing kpt #: 37 total cpu time spent up to now is 45.3 secs Computing kpt #: 38 total cpu time spent up to now is 46.7 secs Computing kpt #: 39 total cpu time spent up to now is 48.1 secs Computing kpt #: 40 total cpu time spent up to now is 49.7 secs Computing kpt #: 41 total cpu time spent up to now is 51.3 secs Computing kpt #: 42 total cpu time spent up to now is 52.9 secs Computing kpt #: 43 total cpu time spent up to now is 54.6 secs Computing kpt #: 44 total cpu time spent up to now is 56.3 secs Computing kpt #: 45 total cpu time spent up to now is 58.0 secs Computing kpt #: 46 total cpu time spent up to now is 59.6 secs Computing kpt #: 47 total cpu time spent up to now is 61.4 secs Computing kpt #: 48 total cpu time spent up to now is 63.2 secs Computing kpt #: 49 total cpu time spent up to now is 65.1 secs Computing kpt #: 50 total cpu time spent up to now is 67.4 secs Computing kpt #: 51 total cpu time spent up to now is 69.2 secs Computing kpt #: 52 total cpu time spent up to now is 71.5 secs Computing kpt #: 53 total cpu time spent up to now is 73.8 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.1 secs Computing kpt #: 55 total cpu time spent up to now is 78.0 secs Computing kpt #: 56 total cpu time spent up to now is 79.8 secs Computing kpt #: 57 total cpu time spent up to now is 82.0 secs Computing kpt #: 58 total cpu time spent up to now is 83.6 secs Computing kpt #: 59 total cpu time spent up to now is 85.4 secs Computing kpt #: 60 total cpu time spent up to now is 87.5 secs Computing kpt #: 61 total cpu time spent up to now is 88.8 secs Computing kpt #: 62 total cpu time spent up to now is 90.1 secs Computing kpt #: 63 total cpu time spent up to now is 91.3 secs Computing kpt #: 64 total cpu time spent up to now is 92.6 secs Computing kpt #: 65 total cpu time spent up to now is 93.7 secs Computing kpt #: 66 total cpu time spent up to now is 95.0 secs Computing kpt #: 67 total cpu time spent up to now is 96.1 secs Computing kpt #: 68 total cpu time spent up to now is 97.2 secs Computing kpt #: 69 total cpu time spent up to now is 98.2 secs Computing kpt #: 70 total cpu time spent up to now is 99.3 secs Computing kpt #: 71 total cpu time spent up to now is 100.3 secs Computing kpt #: 72 total cpu time spent up to now is 101.4 secs Computing kpt #: 73 total cpu time spent up to now is 102.4 secs Computing kpt #: 74 total cpu time spent up to now is 103.4 secs Computing kpt #: 75 total cpu time spent up to now is 104.5 secs Computing kpt #: 76 total cpu time spent up to now is 105.5 secs Computing kpt #: 77 total cpu time spent up to now is 106.6 secs Computing kpt #: 78 total cpu time spent up to now is 107.6 secs Computing kpt #: 79 total cpu time spent up to now is 108.6 secs Computing kpt #: 80 total cpu time spent up to now is 109.7 secs Computing kpt #: 81 total cpu time spent up to now is 111.2 secs Computing kpt #: 82 total cpu time spent up to now is 112.2 secs Computing kpt #: 83 total cpu time spent up to now is 113.2 secs Computing kpt #: 84 total cpu time spent up to now is 114.2 secs Computing kpt #: 85 total cpu time spent up to now is 115.2 secs Computing kpt #: 86 total cpu time spent up to now is 116.2 secs Computing kpt #: 87 total cpu time spent up to now is 117.2 secs Computing kpt #: 88 total cpu time spent up to now is 118.2 secs Computing kpt #: 89 total cpu time spent up to now is 119.2 secs Computing kpt #: 90 total cpu time spent up to now is 120.3 secs Computing kpt #: 91 total cpu time spent up to now is 121.3 secs Computing kpt #: 92 total cpu time spent up to now is 122.3 secs Computing kpt #: 93 total cpu time spent up to now is 123.4 secs Computing kpt #: 94 total cpu time spent up to now is 124.6 secs Computing kpt #: 95 total cpu time spent up to now is 125.7 secs Computing kpt #: 96 total cpu time spent up to now is 126.8 secs Computing kpt #: 97 total cpu time spent up to now is 127.9 secs Computing kpt #: 98 total cpu time spent up to now is 129.0 secs Computing kpt #: 99 total cpu time spent up to now is 130.1 secs Computing kpt #: 100 total cpu time spent up to now is 131.2 secs Computing kpt #: 101 total cpu time spent up to now is 132.3 secs Computing kpt #: 102 total cpu time spent up to now is 133.4 secs Computing kpt #: 103 total cpu time spent up to now is 134.5 secs Computing kpt #: 104 total cpu time spent up to now is 135.6 secs Computing kpt #: 105 total cpu time spent up to now is 136.7 secs Computing kpt #: 106 total cpu time spent up to now is 137.7 secs Computing kpt #: 107 total cpu time spent up to now is 138.8 secs Computing kpt #: 108 total cpu time spent up to now is 139.8 secs Computing kpt #: 109 total cpu time spent up to now is 140.8 secs Computing kpt #: 110 total cpu time spent up to now is 141.8 secs Computing kpt #: 111 total cpu time spent up to now is 142.8 secs Computing kpt #: 112 total cpu time spent up to now is 143.7 secs Computing kpt #: 113 total cpu time spent up to now is 144.7 secs Computing kpt #: 114 total cpu time spent up to now is 145.7 secs Computing kpt #: 115 total cpu time spent up to now is 146.6 secs Computing kpt #: 116 total cpu time spent up to now is 147.6 secs Computing kpt #: 117 total cpu time spent up to now is 148.5 secs Computing kpt #: 118 total cpu time spent up to now is 149.5 secs Computing kpt #: 119 total cpu time spent up to now is 150.4 secs Computing kpt #: 120 total cpu time spent up to now is 151.4 secs Computing kpt #: 121 total cpu time spent up to now is 152.3 secs Computing kpt #: 122 total cpu time spent up to now is 153.3 secs Computing kpt #: 123 total cpu time spent up to now is 154.3 secs Computing kpt #: 124 total cpu time spent up to now is 155.2 secs Computing kpt #: 125 total cpu time spent up to now is 156.2 secs Computing kpt #: 126 total cpu time spent up to now is 157.1 secs Computing kpt #: 127 total cpu time spent up to now is 158.1 secs Computing kpt #: 128 total cpu time spent up to now is 159.0 secs Computing kpt #: 129 total cpu time spent up to now is 159.9 secs Computing kpt #: 130 total cpu time spent up to now is 160.9 secs Computing kpt #: 131 total cpu time spent up to now is 161.8 secs Computing kpt #: 132 total cpu time spent up to now is 162.8 secs Computing kpt #: 133 total cpu time spent up to now is 163.7 secs Computing kpt #: 134 total cpu time spent up to now is 164.7 secs Computing kpt #: 135 total cpu time spent up to now is 165.6 secs Computing kpt #: 136 total cpu time spent up to now is 166.6 secs Computing kpt #: 137 total cpu time spent up to now is 167.5 secs Computing kpt #: 138 total cpu time spent up to now is 168.5 secs Computing kpt #: 139 total cpu time spent up to now is 169.4 secs Computing kpt #: 140 total cpu time spent up to now is 170.4 secs Computing kpt #: 141 total cpu time spent up to now is 171.3 secs Computing kpt #: 142 total cpu time spent up to now is 172.3 secs Computing kpt #: 143 total cpu time spent up to now is 173.3 secs Computing kpt #: 144 total cpu time spent up to now is 174.3 secs Computing kpt #: 145 total cpu time spent up to now is 175.3 secs Computing kpt #: 146 total cpu time spent up to now is 176.3 secs Computing kpt #: 147 total cpu time spent up to now is 177.3 secs Computing kpt #: 148 total cpu time spent up to now is 178.3 secs Computing kpt #: 149 total cpu time spent up to now is 179.4 secs Computing kpt #: 150 total cpu time spent up to now is 180.4 secs Computing kpt #: 151 total cpu time spent up to now is 181.5 secs Computing kpt #: 152 total cpu time spent up to now is 182.6 secs Computing kpt #: 153 total cpu time spent up to now is 183.7 secs Computing kpt #: 154 total cpu time spent up to now is 184.9 secs Computing kpt #: 155 total cpu time spent up to now is 186.1 secs Computing kpt #: 156 total cpu time spent up to now is 187.2 secs Computing kpt #: 157 total cpu time spent up to now is 188.3 secs Computing kpt #: 158 total cpu time spent up to now is 189.4 secs Computing kpt #: 159 total cpu time spent up to now is 190.5 secs Computing kpt #: 160 total cpu time spent up to now is 191.6 secs Computing kpt #: 161 total cpu time spent up to now is 192.7 secs Computing kpt #: 162 total cpu time spent up to now is 193.8 secs Computing kpt #: 163 total cpu time spent up to now is 195.0 secs Computing kpt #: 164 total cpu time spent up to now is 196.1 secs Computing kpt #: 165 total cpu time spent up to now is 197.1 secs Computing kpt #: 166 total cpu time spent up to now is 198.2 secs Computing kpt #: 167 total cpu time spent up to now is 199.3 secs Computing kpt #: 168 total cpu time spent up to now is 200.4 secs Computing kpt #: 169 total cpu time spent up to now is 201.5 secs Computing kpt #: 170 total cpu time spent up to now is 202.5 secs Computing kpt #: 171 total cpu time spent up to now is 203.6 secs Computing kpt #: 172 total cpu time spent up to now is 204.7 secs Computing kpt #: 173 total cpu time spent up to now is 205.8 secs Computing kpt #: 174 total cpu time spent up to now is 206.8 secs Computing kpt #: 175 total cpu time spent up to now is 207.9 secs Computing kpt #: 176 total cpu time spent up to now is 209.0 secs Computing kpt #: 177 total cpu time spent up to now is 210.0 secs Computing kpt #: 178 total cpu time spent up to now is 211.1 secs Computing kpt #: 179 total cpu time spent up to now is 212.2 secs Computing kpt #: 180 total cpu time spent up to now is 213.3 secs Computing kpt #: 181 total cpu time spent up to now is 214.3 secs Computing kpt #: 182 total cpu time spent up to now is 215.4 secs Computing kpt #: 183 total cpu time spent up to now is 216.4 secs Computing kpt #: 184 total cpu time spent up to now is 217.5 secs Computing kpt #: 185 total cpu time spent up to now is 218.6 secs Computing kpt #: 186 total cpu time spent up to now is 219.6 secs Computing kpt #: 187 total cpu time spent up to now is 220.7 secs Computing kpt #: 188 total cpu time spent up to now is 221.7 secs Computing kpt #: 189 total cpu time spent up to now is 222.7 secs Computing kpt #: 190 total cpu time spent up to now is 223.8 secs Computing kpt #: 191 total cpu time spent up to now is 224.8 secs Computing kpt #: 192 total cpu time spent up to now is 225.8 secs Computing kpt #: 193 total cpu time spent up to now is 226.9 secs Computing kpt #: 194 total cpu time spent up to now is 227.9 secs Computing kpt #: 195 total cpu time spent up to now is 229.3 secs Computing kpt #: 196 total cpu time spent up to now is 230.5 secs Computing kpt #: 197 total cpu time spent up to now is 231.6 secs Computing kpt #: 198 total cpu time spent up to now is 232.8 secs Computing kpt #: 199 total cpu time spent up to now is 234.0 secs Computing kpt #: 200 total cpu time spent up to now is 235.2 secs Computing kpt #: 201 total cpu time spent up to now is 236.4 secs Computing kpt #: 202 total cpu time spent up to now is 237.5 secs Computing kpt #: 203 total cpu time spent up to now is 238.6 secs Computing kpt #: 204 total cpu time spent up to now is 239.6 secs Computing kpt #: 205 total cpu time spent up to now is 240.6 secs Computing kpt #: 206 total cpu time spent up to now is 241.6 secs Computing kpt #: 207 total cpu time spent up to now is 242.6 secs Computing kpt #: 208 total cpu time spent up to now is 243.6 secs Computing kpt #: 209 total cpu time spent up to now is 244.6 secs Computing kpt #: 210 total cpu time spent up to now is 245.6 secs Computing kpt #: 211 total cpu time spent up to now is 246.5 secs Computing kpt #: 212 total cpu time spent up to now is 247.5 secs Computing kpt #: 213 total cpu time spent up to now is 248.5 secs Computing kpt #: 214 total cpu time spent up to now is 249.4 secs Computing kpt #: 215 total cpu time spent up to now is 250.3 secs Computing kpt #: 216 total cpu time spent up to now is 251.3 secs Computing kpt #: 217 total cpu time spent up to now is 252.3 secs Computing kpt #: 218 total cpu time spent up to now is 253.2 secs Computing kpt #: 219 total cpu time spent up to now is 254.2 secs Computing kpt #: 220 total cpu time spent up to now is 255.2 secs Computing kpt #: 221 total cpu time spent up to now is 256.1 secs Computing kpt #: 222 total cpu time spent up to now is 257.1 secs Computing kpt #: 223 total cpu time spent up to now is 258.0 secs Computing kpt #: 224 total cpu time spent up to now is 259.0 secs Computing kpt #: 225 total cpu time spent up to now is 259.9 secs Computing kpt #: 226 total cpu time spent up to now is 261.0 secs Computing kpt #: 227 total cpu time spent up to now is 262.0 secs Computing kpt #: 228 total cpu time spent up to now is 263.1 secs Computing kpt #: 229 total cpu time spent up to now is 264.1 secs Computing kpt #: 230 total cpu time spent up to now is 265.2 secs Computing kpt #: 231 total cpu time spent up to now is 266.2 secs Computing kpt #: 232 total cpu time spent up to now is 267.3 secs Computing kpt #: 233 total cpu time spent up to now is 268.3 secs Computing kpt #: 234 total cpu time spent up to now is 269.4 secs Computing kpt #: 235 total cpu time spent up to now is 270.4 secs Computing kpt #: 236 total cpu time spent up to now is 271.4 secs Computing kpt #: 237 total cpu time spent up to now is 272.5 secs Computing kpt #: 238 total cpu time spent up to now is 273.5 secs Computing kpt #: 239 total cpu time spent up to now is 274.6 secs Computing kpt #: 240 total cpu time spent up to now is 275.6 secs Computing kpt #: 241 total cpu time spent up to now is 276.7 secs Computing kpt #: 242 total cpu time spent up to now is 277.7 secs Computing kpt #: 243 total cpu time spent up to now is 278.8 secs Computing kpt #: 244 total cpu time spent up to now is 279.9 secs Computing kpt #: 245 total cpu time spent up to now is 280.9 secs Computing kpt #: 246 total cpu time spent up to now is 282.0 secs Computing kpt #: 247 total cpu time spent up to now is 283.1 secs Computing kpt #: 248 total cpu time spent up to now is 284.2 secs Computing kpt #: 249 total cpu time spent up to now is 285.3 secs Computing kpt #: 250 total cpu time spent up to now is 286.7 secs Computing kpt #: 251 total cpu time spent up to now is 288.0 secs Computing kpt #: 252 total cpu time spent up to now is 289.3 secs Computing kpt #: 253 total cpu time spent up to now is 290.7 secs Computing kpt #: 254 total cpu time spent up to now is 292.0 secs Computing kpt #: 255 total cpu time spent up to now is 294.2 secs Computing kpt #: 256 total cpu time spent up to now is 296.0 secs Computing kpt #: 257 total cpu time spent up to now is 297.7 secs Computing kpt #: 258 total cpu time spent up to now is 299.3 secs Computing kpt #: 259 total cpu time spent up to now is 301.0 secs Computing kpt #: 260 total cpu time spent up to now is 302.8 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.2 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.4 secs Computing kpt #: 263 total cpu time spent up to now is 309.6 secs Computing kpt #: 264 total cpu time spent up to now is 311.3 secs Computing kpt #: 265 total cpu time spent up to now is 313.0 secs Computing kpt #: 266 total cpu time spent up to now is 314.1 secs Computing kpt #: 267 total cpu time spent up to now is 315.2 secs Computing kpt #: 268 total cpu time spent up to now is 316.2 secs Computing kpt #: 269 total cpu time spent up to now is 317.3 secs Computing kpt #: 270 total cpu time spent up to now is 318.4 secs Computing kpt #: 271 total cpu time spent up to now is 319.4 secs Computing kpt #: 272 total cpu time spent up to now is 320.6 secs Computing kpt #: 273 total cpu time spent up to now is 321.7 secs Computing kpt #: 274 total cpu time spent up to now is 322.8 secs Computing kpt #: 275 total cpu time spent up to now is 323.9 secs Computing kpt #: 276 total cpu time spent up to now is 324.9 secs Computing kpt #: 277 total cpu time spent up to now is 326.0 secs Computing kpt #: 278 total cpu time spent up to now is 327.1 secs Computing kpt #: 279 total cpu time spent up to now is 328.3 secs Computing kpt #: 280 total cpu time spent up to now is 329.4 secs Computing kpt #: 281 total cpu time spent up to now is 330.5 secs Computing kpt #: 282 total cpu time spent up to now is 331.5 secs Computing kpt #: 283 total cpu time spent up to now is 332.6 secs ethr = 1.79E-08, avg # of iterations = 38.6 total cpu time spent up to now is 332.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5075 PWs) bands (ev): -19.3297 -19.3297 -14.2150 -14.2150 -12.0333 -12.0333 -11.9763 -11.9763 -11.8062 -11.8062 -10.7554 -10.7554 -10.7352 -10.7352 -5.8873 -5.8873 -4.2736 -4.2736 -3.9310 -3.9310 -3.8652 -3.8652 -0.2409 -0.2409 -0.0289 -0.0289 0.7411 0.7411 0.8483 0.8483 1.0387 1.0387 1.2047 1.2047 3.5957 3.5957 3.7245 3.7245 3.7329 3.7329 4.2266 4.2266 4.2627 4.2627 4.2959 4.2959 4.6311 4.6311 4.6460 4.6460 4.6516 4.6516 4.9507 4.9507 4.9970 4.9970 8.4381 8.4381 11.7767 11.7767 12.1693 12.1693 12.4158 12.4158 12.5062 12.5062 12.7023 12.7023 k = 0.0143 0.0082-0.0000 ( 5109 PWs) bands (ev): -19.3297 -19.3297 -14.2143 -14.2143 -12.0343 -12.0343 -11.9774 -11.9774 -11.8055 -11.8055 -10.7554 -10.7554 -10.7352 -10.7352 -5.8875 -5.8875 -4.2714 -4.2714 -3.9312 -3.9312 -3.8655 -3.8655 -0.2421 -0.2421 -0.0293 -0.0293 0.7419 0.7419 0.8491 0.8491 1.0402 1.0402 1.2059 1.2059 3.5971 3.5971 3.7211 3.7211 3.7309 3.7309 4.2271 4.2271 4.2612 4.2612 4.2935 4.2935 4.6292 4.6292 4.6414 4.6414 4.6593 4.6593 4.9508 4.9508 4.9969 4.9969 8.4422 8.4422 11.7745 11.7745 12.1701 12.1701 12.4166 12.4166 12.5070 12.5070 12.7033 12.7033 k = 0.0286 0.0165-0.0000 ( 5113 PWs) bands (ev): -19.3296 -19.3296 -14.2122 -14.2122 -12.0374 -12.0374 -11.9807 -11.9807 -11.8034 -11.8034 -10.7554 -10.7554 -10.7351 -10.7351 -5.8879 -5.8879 -4.2651 -4.2651 -3.9320 -3.9320 -3.8663 -3.8663 -0.2456 -0.2456 -0.0303 -0.0303 0.7441 0.7441 0.8517 0.8517 1.0446 1.0446 1.2099 1.2099 3.6010 3.6010 3.7076 3.7076 3.7290 3.7290 4.2276 4.2276 4.2569 4.2569 4.2877 4.2877 4.6240 4.6240 4.6379 4.6379 4.6715 4.6715 4.9509 4.9509 4.9964 4.9964 8.4545 8.4545 11.7681 11.7681 12.1724 12.1724 12.4189 12.4189 12.5091 12.5091 12.7062 12.7062 k = 0.0429 0.0247-0.0000 ( 5113 PWs) bands (ev): -19.3295 -19.3295 -14.2087 -14.2087 -12.0428 -12.0428 -11.9857 -11.9857 -11.8000 -11.8000 -10.7555 -10.7555 -10.7350 -10.7350 -5.8886 -5.8886 -4.2545 -4.2545 -3.9332 -3.9332 -3.8675 -3.8675 -0.2513 -0.2513 -0.0320 -0.0320 0.7479 0.7479 0.8559 0.8559 1.0514 1.0514 1.2167 1.2167 3.6075 3.6075 3.6838 3.6838 3.7279 3.7279 4.2234 4.2234 4.2514 4.2514 4.2812 4.2812 4.6175 4.6175 4.6352 4.6352 4.6858 4.6858 4.9512 4.9512 4.9956 4.9956 8.4748 8.4748 11.7579 11.7579 12.1761 12.1761 12.4226 12.4226 12.5128 12.5128 12.7111 12.7111 k = 0.0571 0.0330-0.0000 ( 5113 PWs) bands (ev): -19.3294 -19.3294 -14.2038 -14.2038 -12.0508 -12.0508 -11.9922 -11.9922 -11.7954 -11.7954 -10.7559 -10.7559 -10.7345 -10.7345 -5.8896 -5.8896 -4.2398 -4.2398 -3.9349 -3.9349 -3.8693 -3.8693 -0.2595 -0.2595 -0.0342 -0.0342 0.7532 0.7532 0.8617 0.8617 1.0602 1.0602 1.2269 1.2269 3.6162 3.6162 3.6520 3.6520 3.7270 3.7270 4.2080 4.2080 4.2474 4.2474 4.2780 4.2780 4.6108 4.6108 4.6320 4.6320 4.7018 4.7018 4.9515 4.9515 4.9946 4.9946 8.5028 8.5028 11.7440 11.7440 12.1813 12.1813 12.4273 12.4273 12.5178 12.5178 12.7179 12.7179 k = 0.0714 0.0412-0.0000 ( 5119 PWs) bands (ev): -19.3293 -19.3293 -14.1976 -14.1976 -12.0616 -12.0616 -11.9996 -11.9996 -11.7895 -11.7895 -10.7568 -10.7568 -10.7336 -10.7336 -5.8909 -5.8909 -4.2210 -4.2210 -3.9371 -3.9371 -3.8714 -3.8714 -0.2700 -0.2700 -0.0367 -0.0367 0.7600 0.7600 0.8692 0.8692 1.0701 1.0701 1.2409 1.2409 3.6128 3.6128 3.6272 3.6272 3.7265 3.7265 4.1821 4.1821 4.2423 4.2423 4.2802 4.2802 4.6039 4.6039 4.6276 4.6276 4.7191 4.7191 4.9518 4.9518 4.9934 4.9934 8.5381 8.5381 11.7270 11.7270 12.1878 12.1878 12.4326 12.4326 12.5239 12.5239 12.7263 12.7263 k = 0.0857 0.0495-0.0000 ( 5121 PWs) bands (ev): -19.3291 -19.3291 -14.1900 -14.1900 -12.0756 -12.0756 -12.0075 -12.0075 -11.7825 -11.7825 -10.7585 -10.7585 -10.7321 -10.7321 -5.8925 -5.8925 -4.1983 -4.1983 -3.9396 -3.9396 -3.8740 -3.8740 -0.2830 -0.2830 -0.0393 -0.0393 0.7684 0.7684 0.8782 0.8782 1.0805 1.0805 1.2590 1.2590 3.5689 3.5689 3.6384 3.6384 3.7268 3.7268 4.1488 4.1488 4.2346 4.2346 4.2866 4.2866 4.5967 4.5967 4.6219 4.6219 4.7371 4.7371 4.9521 4.9521 4.9919 4.9919 8.5805 8.5805 11.7073 11.7073 12.1955 12.1955 12.4384 12.4384 12.5309 12.5309 12.7365 12.7365 k = 0.1000 0.0577-0.0000 ( 5125 PWs) bands (ev): -19.3289 -19.3289 -14.1810 -14.1810 -12.0929 -12.0929 -12.0155 -12.0155 -11.7745 -11.7745 -10.7610 -10.7610 -10.7300 -10.7300 -5.8943 -5.8943 -4.1718 -4.1718 -3.9425 -3.9425 -3.8769 -3.8769 -0.2984 -0.2984 -0.0419 -0.0419 0.7782 0.7782 0.8887 0.8887 1.0908 1.0908 1.2816 1.2816 3.5205 3.5205 3.6493 3.6493 3.7292 3.7292 4.1103 4.1103 4.2250 4.2250 4.2951 4.2951 4.5892 4.5892 4.6146 4.6146 4.7554 4.7554 4.9522 4.9522 4.9904 4.9904 8.6292 8.6292 11.6853 11.6853 12.2043 12.2043 12.4445 12.4445 12.5383 12.5383 12.7483 12.7483 k = 0.1143 0.0660-0.0000 ( 5119 PWs) bands (ev): -19.3287 -19.3287 -14.1707 -14.1707 -12.1134 -12.1134 -12.0235 -12.0235 -11.7655 -11.7655 -10.7642 -10.7642 -10.7273 -10.7273 -5.8963 -5.8963 -4.1418 -4.1418 -3.9456 -3.9456 -3.8800 -3.8800 -0.3162 -0.3162 -0.0441 -0.0441 0.7895 0.7895 0.9006 0.9006 1.1007 1.1007 1.3085 1.3085 3.4688 3.4688 3.6574 3.6574 3.7355 3.7355 4.0678 4.0678 4.2141 4.2141 4.3045 4.3045 4.5811 4.5811 4.6059 4.6059 4.7735 4.7735 4.9522 4.9522 4.9888 4.9888 8.6840 8.6840 11.6614 11.6614 12.2140 12.2140 12.4508 12.4508 12.5455 12.5455 12.7617 12.7617 k = 0.1286 0.0742-0.0000 ( 5117 PWs) bands (ev): -19.3285 -19.3285 -14.1590 -14.1590 -12.1369 -12.1369 -12.0315 -12.0315 -11.7555 -11.7555 -10.7682 -10.7682 -10.7242 -10.7242 -5.8985 -5.8985 -4.1087 -4.1087 -3.9486 -3.9486 -3.8834 -3.8834 -0.3366 -0.3366 -0.0458 -0.0458 0.8020 0.8020 0.9138 0.9138 1.1103 1.1103 1.3395 1.3395 3.4146 3.4146 3.6605 3.6605 3.7474 3.7474 4.0227 4.0227 4.2021 4.2021 4.3144 4.3144 4.5722 4.5722 4.5959 4.5959 4.7910 4.7910 4.9518 4.9518 4.9871 4.9871 8.7441 8.7441 11.6359 11.6359 12.2244 12.2244 12.4573 12.4573 12.5521 12.5521 12.7768 12.7768 k = 0.1429 0.0825-0.0000 ( 5125 PWs) bands (ev): -19.3282 -19.3282 -14.1460 -14.1460 -12.1631 -12.1631 -12.0394 -12.0394 -11.7447 -11.7447 -10.7730 -10.7730 -10.7208 -10.7208 -5.9010 -5.9010 -4.0732 -4.0732 -3.9509 -3.9509 -3.8869 -3.8869 -0.3595 -0.3595 -0.0467 -0.0467 0.8157 0.8157 0.9281 0.9281 1.1195 1.1195 1.3741 1.3741 3.3589 3.3589 3.6577 3.6577 3.7650 3.7650 3.9762 3.9762 4.1892 4.1892 4.3244 4.3244 4.5623 4.5623 4.5847 4.5847 4.8075 4.8075 4.9509 4.9509 4.9854 4.9854 8.8091 8.8091 11.6091 11.6091 12.2353 12.2353 12.4638 12.4638 12.5578 12.5578 12.7936 12.7936 k = 0.1571 0.0907-0.0000 ( 5125 PWs) bands (ev): -19.3279 -19.3279 -14.1318 -14.1318 -12.1917 -12.1917 -12.0472 -12.0472 -11.7331 -11.7331 -10.7785 -10.7785 -10.7172 -10.7172 -5.9036 -5.9036 -4.0374 -4.0374 -3.9508 -3.9508 -3.8903 -3.8903 -0.3848 -0.3848 -0.0467 -0.0467 0.8303 0.8303 0.9433 0.9433 1.1286 1.1286 1.4118 1.4118 3.3024 3.3024 3.6492 3.6492 3.7869 3.7869 3.9300 3.9300 4.1753 4.1753 4.3344 4.3344 4.5513 4.5513 4.5728 4.5728 4.8228 4.8228 4.9494 4.9494 4.9837 4.9837 8.8785 8.8785 11.5813 11.5813 12.2462 12.2462 12.4703 12.4703 12.5624 12.5624 12.8122 12.8122 k = 0.1714 0.0990-0.0000 ( 5129 PWs) bands (ev): -19.3276 -19.3276 -14.1162 -14.1162 -12.2226 -12.2226 -12.0551 -12.0551 -11.7207 -11.7207 -10.7846 -10.7846 -10.7133 -10.7133 -5.9063 -5.9063 -4.0077 -4.0077 -3.9427 -3.9427 -3.8930 -3.8930 -0.4126 -0.4126 -0.0456 -0.0456 0.8456 0.8456 0.9593 0.9593 1.1377 1.1377 1.4520 1.4520 3.2459 3.2459 3.6346 3.6346 3.8117 3.8117 3.8860 3.8860 4.1607 4.1607 4.3444 4.3444 4.5390 4.5390 4.5604 4.5604 4.8367 4.8367 4.9473 4.9473 4.9821 4.9821 8.9516 8.9516 11.5527 11.5527 12.2568 12.2568 12.4766 12.4766 12.5660 12.5660 12.8328 12.8328 k = 0.1857 0.1072-0.0000 ( 5129 PWs) bands (ev): -19.3273 -19.3273 -14.0995 -14.0995 -12.2555 -12.2555 -12.0630 -12.0630 -11.7076 -11.7076 -10.7915 -10.7915 -10.7094 -10.7094 -5.9092 -5.9092 -3.9939 -3.9939 -3.9205 -3.9205 -3.8910 -3.8910 -0.4429 -0.4429 -0.0431 -0.0431 0.8613 0.8613 0.9759 0.9759 1.1472 1.1472 1.4942 1.4942 3.1900 3.1900 3.6131 3.6131 3.8364 3.8364 3.8487 3.8487 4.1452 4.1452 4.3542 4.3542 4.5252 4.5252 4.5480 4.5480 4.8490 4.8490 4.9444 4.9444 4.9804 4.9804 9.0281 9.0281 11.5234 11.5234 12.2663 12.2663 12.4824 12.4824 12.5688 12.5688 12.8555 12.8555 k = 0.2000 0.1155-0.0000 ( 5139 PWs) bands (ev): -19.3270 -19.3270 -14.0815 -14.0815 -12.2901 -12.2901 -12.0708 -12.0708 -11.6938 -11.6938 -10.7990 -10.7990 -10.7054 -10.7054 -5.9122 -5.9122 -3.9925 -3.9925 -3.9095 -3.9095 -3.8630 -3.8630 -0.4754 -0.4754 -0.0392 -0.0392 0.8771 0.8771 0.9928 0.9928 1.1570 1.1570 1.5377 1.5377 3.1355 3.1355 3.5836 3.5836 3.8117 3.8117 3.8686 3.8686 4.1290 4.1290 4.3638 4.3638 4.5102 4.5102 4.5356 4.5356 4.8596 4.8596 4.9408 4.9408 4.9786 4.9786 9.1073 9.1073 11.4936 11.4936 12.2740 12.2740 12.4876 12.4876 12.5714 12.5714 12.8805 12.8805 k = 0.2143 0.1237-0.0000 ( 5139 PWs) bands (ev): -19.3267 -19.3267 -14.0623 -14.0623 -12.3263 -12.3263 -12.0786 -12.0786 -11.6795 -11.6795 -10.8072 -10.8072 -10.7015 -10.7015 -5.9153 -5.9153 -3.9954 -3.9954 -3.9110 -3.9110 -3.8159 -3.8159 -0.5103 -0.5103 -0.0338 -0.0338 0.8926 0.8926 1.0099 1.0099 1.1675 1.1675 1.5821 1.5821 3.0832 3.0832 3.5461 3.5461 3.7855 3.7855 3.8982 3.8982 4.1119 4.1119 4.3731 4.3731 4.4944 4.4944 4.5234 4.5234 4.8683 4.8683 4.9365 4.9365 4.9767 4.9767 9.1889 9.1889 11.4634 11.4634 12.2788 12.2788 12.4924 12.4924 12.5743 12.5743 12.9080 12.9080 k = 0.2286 0.1320-0.0000 ( 5145 PWs) bands (ev): -19.3263 -19.3263 -14.0421 -14.0421 -12.3638 -12.3638 -12.0863 -12.0863 -11.6645 -11.6645 -10.8161 -10.8161 -10.6975 -10.6975 -5.9184 -5.9184 -4.0001 -4.0001 -3.9142 -3.9142 -3.7631 -3.7631 -0.5473 -0.5473 -0.0267 -0.0267 0.9073 0.9073 1.0270 1.0270 1.1786 1.1786 1.6269 1.6269 3.0336 3.0336 3.5020 3.5020 3.7655 3.7655 3.9284 3.9284 4.0941 4.0941 4.3818 4.3818 4.4779 4.4779 4.5115 4.5115 4.8751 4.8751 4.9315 4.9315 4.9748 4.9748 9.2723 9.2723 11.4329 11.4329 12.2796 12.2796 12.4973 12.4973 12.5781 12.5781 12.9381 12.9381 k = 0.2429 0.1402-0.0000 ( 5149 PWs) bands (ev): -19.3260 -19.3260 -14.0208 -14.0208 -12.4023 -12.4023 -12.0939 -12.0939 -11.6491 -11.6491 -10.8255 -10.8255 -10.6937 -10.6937 -5.9215 -5.9215 -4.0055 -4.0055 -3.9178 -3.9178 -3.7071 -3.7071 -0.5864 -0.5864 -0.0178 -0.0178 0.9209 0.9209 1.0438 1.0438 1.1906 1.1906 1.6713 1.6713 2.9877 2.9877 3.4532 3.4532 3.7503 3.7503 3.9589 3.9589 4.0755 4.0755 4.3895 4.3895 4.4615 4.4615 4.5004 4.5004 4.8797 4.8797 4.9259 4.9259 4.9730 4.9730 9.3572 9.3572 11.4022 11.4022 12.2752 12.2752 12.5030 12.5030 12.5827 12.5827 12.9710 12.9710 k = 0.2571 0.1485-0.0000 ( 5149 PWs) bands (ev): -19.3256 -19.3256 -13.9984 -13.9984 -12.4418 -12.4418 -12.1013 -12.1013 -11.6332 -11.6332 -10.8356 -10.8356 -10.6899 -10.6899 -5.9247 -5.9247 -4.0112 -4.0112 -3.9215 -3.9215 -3.6490 -3.6490 -0.6273 -0.6273 -0.0071 -0.0071 0.9326 0.9326 1.0601 1.0601 1.2035 1.2035 1.7150 1.7150 2.9461 2.9461 3.4017 3.4017 3.7385 3.7385 3.9890 3.9890 4.0562 4.0562 4.3954 4.3954 4.4454 4.4454 4.4908 4.4908 4.8818 4.8818 4.9196 4.9196 4.9715 4.9715 9.4432 9.4432 11.3715 11.3715 12.2650 12.2650 12.5101 12.5101 12.5883 12.5883 13.0068 13.0068 k = 0.2714 0.1567-0.0000 ( 5153 PWs) bands (ev): -19.3253 -19.3253 -13.9751 -13.9751 -12.4819 -12.4819 -12.1085 -12.1085 -11.6169 -11.6169 -10.8463 -10.8463 -10.6863 -10.6863 -5.9278 -5.9278 -4.0171 -4.0171 -3.9251 -3.9251 -3.5891 -3.5891 -0.6699 -0.6699 0.0055 0.0055 0.9421 0.9421 1.0758 1.0758 1.2173 1.2173 1.7573 1.7573 2.9096 2.9096 3.3490 3.3490 3.7290 3.7290 4.0179 4.0179 4.0365 4.0365 4.3982 4.3982 4.4305 4.4305 4.4838 4.4838 4.8814 4.8814 4.9125 4.9125 4.9707 4.9707 9.5299 9.5299 11.3409 11.3409 12.2489 12.2489 12.5191 12.5191 12.5947 12.5947 13.0455 13.0455 k = 0.2857 0.1650-0.0000 ( 5149 PWs) bands (ev): -19.3249 -19.3249 -13.9510 -13.9510 -12.5225 -12.5225 -12.1156 -12.1156 -11.6003 -11.6003 -10.8574 -10.8574 -10.6829 -10.6829 -5.9308 -5.9308 -4.0230 -4.0230 -3.9286 -3.9286 -3.5280 -3.5280 -0.7140 -0.7140 0.0199 0.0199 0.9488 0.9488 1.0907 1.0907 1.2321 1.2321 1.7977 1.7977 2.8787 2.8787 3.2962 3.2962 3.7212 3.7212 4.0149 4.0149 4.0467 4.0467 4.3968 4.3968 4.4172 4.4172 4.4809 4.4809 4.8785 4.8785 4.9046 4.9046 4.9706 4.9706 9.6168 9.6168 11.3105 11.3105 12.2271 12.2271 12.5296 12.5296 12.6016 12.6016 13.0870 13.0870 k = 0.3000 0.1732-0.0000 ( 5141 PWs) bands (ev): -19.3246 -19.3246 -13.9261 -13.9261 -12.5634 -12.5634 -12.1223 -12.1223 -11.5835 -11.5835 -10.8691 -10.8691 -10.6796 -10.6796 -5.9338 -5.9338 -4.0289 -4.0289 -3.9320 -3.9320 -3.4661 -3.4661 -0.7594 -0.7594 0.0362 0.0362 0.9523 0.9523 1.1045 1.1045 1.2480 1.2480 1.8356 1.8356 2.8542 2.8542 3.2443 3.2443 3.7146 3.7146 3.9937 3.9937 4.0721 4.0721 4.3912 4.3912 4.4056 4.4056 4.4825 4.4825 4.8734 4.8734 4.8956 4.8956 4.9714 4.9714 9.7036 9.7036 11.2804 11.2804 12.2004 12.2004 12.5411 12.5411 12.6092 12.6092 13.1314 13.1314 k = 0.3143 0.1815-0.0000 ( 5151 PWs) bands (ev): -19.3243 -19.3243 -13.9006 -13.9006 -12.6043 -12.6043 -12.1288 -12.1288 -11.5666 -11.5666 -10.8811 -10.8811 -10.6765 -10.6765 -5.9367 -5.9367 -4.0346 -4.0346 -3.9352 -3.9352 -3.4038 -3.4038 -0.8057 -0.8057 0.0543 0.0543 0.9522 0.9522 1.1173 1.1173 1.2647 1.2647 1.8707 1.8707 2.8362 2.8362 3.1938 3.1938 3.7089 3.7089 3.9718 3.9718 4.0947 4.0947 4.3837 4.3837 4.3953 4.3953 4.4880 4.4880 4.8664 4.8664 4.8855 4.8855 4.9728 4.9728 9.7900 9.7900 11.2508 11.2508 12.1697 12.1697 12.5530 12.5530 12.6173 12.6173 13.1786 13.1786 k = 0.3286 0.1897-0.0000 ( 5147 PWs) bands (ev): -19.3240 -19.3240 -13.8746 -13.8746 -12.6449 -12.6449 -12.1350 -12.1350 -11.5496 -11.5496 -10.8934 -10.8934 -10.6735 -10.6735 -5.9394 -5.9394 -4.0401 -4.0401 -3.9382 -3.9382 -3.3416 -3.3416 -0.8526 -0.8526 0.0742 0.0742 0.9482 0.9482 1.1291 1.1291 1.2822 1.2822 1.9026 1.9026 2.8251 2.8251 3.1452 3.1452 3.7039 3.7039 3.9495 3.9495 4.1132 4.1132 4.3748 4.3748 4.3880 4.3880 4.4962 4.4962 4.8578 4.8578 4.8743 4.8743 4.9747 4.9747 9.8755 9.8755 11.2216 11.2216 12.1356 12.1356 12.5646 12.5646 12.6261 12.6261 13.2283 13.2283 k = 0.3429 0.1979-0.0000 ( 5145 PWs) bands (ev): -19.3237 -19.3237 -13.8482 -13.8482 -12.6851 -12.6851 -12.1408 -12.1408 -11.5328 -11.5328 -10.9060 -10.9060 -10.6708 -10.6708 -5.9420 -5.9420 -4.0453 -4.0453 -3.9410 -3.9410 -3.2800 -3.2800 -0.8997 -0.8997 0.0956 0.0956 0.9404 0.9404 1.1397 1.1397 1.3001 1.3001 1.9312 1.9312 2.8205 2.8205 3.0991 3.0991 3.6995 3.6995 3.9268 3.9268 4.1269 4.1269 4.3636 4.3636 4.3865 4.3865 4.5060 4.5060 4.8480 4.8480 4.8622 4.8622 4.9769 4.9769 9.9598 9.9598 11.1930 11.1930 12.0990 12.0990 12.5753 12.5753 12.6356 12.6356 13.2805 13.2805 k = 0.3571 0.2062-0.0000 ( 5143 PWs) bands (ev): -19.3234 -19.3234 -13.8218 -13.8218 -12.7244 -12.7244 -12.1461 -12.1461 -11.5162 -11.5162 -10.9186 -10.9186 -10.6683 -10.6683 -5.9444 -5.9444 -4.0503 -4.0503 -3.9437 -3.9437 -3.2196 -3.2196 -0.9466 -0.9466 0.1185 0.1185 0.9287 0.9287 1.1493 1.1493 1.3181 1.3181 1.9564 1.9564 2.8221 2.8221 3.0557 3.0557 3.6956 3.6956 3.9041 3.9041 4.1354 4.1354 4.3512 4.3512 4.3909 4.3909 4.5169 4.5169 4.8369 4.8369 4.8495 4.8495 4.9793 4.9793 10.0424 10.0424 11.1650 11.1650 12.0607 12.0607 12.5846 12.5846 12.6458 12.6458 13.3348 13.3348 k = 0.3714 0.2144-0.0000 ( 5147 PWs) bands (ev): -19.3231 -19.3231 -13.7955 -13.7955 -12.7627 -12.7627 -12.1511 -12.1511 -11.5000 -11.5000 -10.9311 -10.9311 -10.6661 -10.6661 -5.9467 -5.9467 -4.0549 -4.0549 -3.9460 -3.9460 -3.1609 -3.1609 -0.9927 -0.9927 0.1426 0.1426 0.9134 0.9134 1.1579 1.1579 1.3358 1.3358 1.9783 1.9783 2.8291 2.8291 3.0155 3.0155 3.6921 3.6921 3.8815 3.8815 4.1391 4.1391 4.3385 4.3385 4.4001 4.4001 4.5287 4.5287 4.8245 4.8245 4.8367 4.8367 4.9816 4.9816 10.1229 10.1229 11.1377 11.1377 12.0214 12.0214 12.5926 12.5926 12.6565 12.6565 13.3911 13.3911 k = 0.3857 0.2227-0.0000 ( 5155 PWs) bands (ev): -19.3229 -19.3229 -13.7696 -13.7696 -12.7994 -12.7994 -12.1556 -12.1556 -11.4845 -11.4845 -10.9433 -10.9433 -10.6640 -10.6640 -5.9488 -5.9488 -4.0591 -4.0591 -3.9482 -3.9482 -3.1048 -3.1048 -1.0374 -1.0374 0.1677 0.1677 0.8951 0.8951 1.1656 1.1656 1.3529 1.3529 1.9973 1.9973 2.8404 2.8404 2.9786 2.9786 3.6891 3.6891 3.8594 3.8594 4.1389 4.1389 4.3261 4.3261 4.4132 4.4132 4.5410 4.5410 4.8108 4.8108 4.8240 4.8240 4.9838 4.9838 10.2007 10.2007 11.1110 11.1110 11.9819 11.9819 12.5992 12.5992 12.6672 12.6672 13.4489 13.4489 k = 0.4000 0.2309-0.0000 ( 5161 PWs) bands (ev): -19.3227 -19.3227 -13.7446 -13.7446 -12.8341 -12.8341 -12.1597 -12.1597 -11.4698 -11.4698 -10.9551 -10.9551 -10.6622 -10.6622 -5.9506 -5.9506 -4.0628 -4.0628 -3.9501 -3.9501 -3.0519 -3.0519 -1.0800 -1.0800 0.1933 0.1933 0.8743 0.8743 1.1724 1.1724 1.3691 1.3691 2.0134 2.0134 2.8547 2.8547 2.9456 2.9456 3.6865 3.6865 3.8380 3.8380 4.1359 4.1359 4.3144 4.3144 4.4287 4.4287 4.5537 4.5537 4.7962 4.7962 4.8117 4.8117 4.9858 4.9858 10.2752 10.2752 11.0850 11.0850 11.9432 11.9432 12.6046 12.6046 12.6777 12.6777 13.5074 13.5074 k = 0.4143 0.2392-0.0000 ( 5159 PWs) bands (ev): -19.3225 -19.3225 -13.7209 -13.7209 -12.8664 -12.8664 -12.1632 -12.1632 -11.4561 -11.4561 -10.9662 -10.9662 -10.6607 -10.6607 -5.9522 -5.9522 -4.0662 -4.0662 -3.9518 -3.9518 -3.0032 -3.0032 -1.1197 -1.1197 0.2188 0.2188 0.8521 0.8521 1.1783 1.1783 1.3839 1.3839 2.0270 2.0270 2.8704 2.8704 2.9170 2.9170 3.6842 3.6842 3.8178 3.8178 4.1315 4.1315 4.3037 4.3037 4.4453 4.4453 4.5667 4.5667 4.7810 4.7810 4.7998 4.7998 4.9876 4.9876 10.3456 10.3456 11.0597 11.0597 11.9061 11.9061 12.6090 12.6090 12.6874 12.6874 13.5656 13.5657 k = 0.4286 0.2474-0.0000 ( 5169 PWs) bands (ev): -19.3223 -19.3223 -13.6990 -13.6990 -12.8955 -12.8955 -12.1663 -12.1663 -11.4438 -11.4438 -10.9764 -10.9764 -10.6593 -10.6593 -5.9536 -5.9536 -4.0690 -4.0690 -3.9532 -3.9532 -2.9595 -2.9595 -1.1557 -1.1557 0.2436 0.2436 0.8293 0.8293 1.1832 1.1832 1.3970 1.3970 2.0383 2.0383 2.8809 2.8809 2.8981 2.8981 3.6822 3.6822 3.7993 3.7993 4.1264 4.1264 4.2941 4.2941 4.4618 4.4618 4.5798 4.5798 4.7657 4.7657 4.7886 4.7886 4.9892 4.9892 10.4109 10.4109 11.0351 11.0351 11.8719 11.8719 12.6125 12.6125 12.6961 12.6961 13.6214 13.6214 k = 0.4429 0.2557-0.0000 ( 5163 PWs) bands (ev): -19.3222 -19.3222 -13.6797 -13.6797 -12.9209 -12.9209 -12.1688 -12.1688 -11.4332 -11.4332 -10.9852 -10.9852 -10.6582 -10.6582 -5.9548 -5.9548 -4.0714 -4.0714 -3.9544 -3.9544 -2.9219 -2.9219 -1.1869 -1.1869 0.2668 0.2668 0.8072 0.8072 1.1873 1.1873 1.4082 1.4082 2.0474 2.0474 2.8671 2.8671 2.9070 2.9070 3.6806 3.6806 3.7831 3.7831 4.1214 4.1214 4.2860 4.2860 4.4773 4.4773 4.5928 4.5928 4.7506 4.7506 4.7782 4.7782 4.9905 4.9905 10.4698 10.4698 11.0116 11.0116 11.8415 11.8415 12.6153 12.6153 12.7035 12.7035 13.6709 13.6709 k = 0.4571 0.2639-0.0000 ( 5157 PWs) bands (ev): -19.3221 -19.3221 -13.6635 -13.6635 -12.9418 -12.9418 -12.1708 -12.1708 -11.4245 -11.4245 -10.9925 -10.9925 -10.6574 -10.6574 -5.9557 -5.9557 -4.0732 -4.0732 -3.9553 -3.9553 -2.8914 -2.8914 -1.2124 -1.2124 0.2871 0.2871 0.7874 0.7874 1.1905 1.1905 1.4171 1.4171 2.0544 2.0544 2.8514 2.8514 2.9203 2.9203 3.6793 3.6793 3.7697 3.7697 4.1171 4.1171 4.2795 4.2795 4.4907 4.4907 4.6052 4.6052 4.7365 4.7365 4.7692 4.7692 4.9916 4.9916 10.5205 10.5205 10.9899 10.9899 11.8163 11.8163 12.6174 12.6174 12.7095 12.7095 13.7099 13.7099 k = 0.4714 0.2722-0.0000 ( 5156 PWs) bands (ev): -19.3220 -19.3220 -13.6513 -13.6513 -12.9574 -12.9574 -12.1722 -12.1722 -11.4180 -11.4180 -10.9980 -10.9980 -10.6567 -10.6567 -5.9564 -5.9564 -4.0746 -4.0746 -3.9559 -3.9559 -2.8688 -2.8688 -1.2314 -1.2314 0.3032 0.3032 0.7715 0.7715 1.1928 1.1928 1.4237 1.4237 2.0594 2.0594 2.8398 2.8398 2.9310 2.9310 3.6783 3.6783 3.7597 3.7597 4.1137 4.1137 4.2747 4.2747 4.5011 4.5011 4.6162 4.6162 4.7241 4.7241 4.7621 4.7621 4.9923 4.9923 10.5606 10.5606 10.9715 10.9715 11.7973 11.7973 12.6188 12.6188 12.7139 12.7139 13.7367 13.7367 k = 0.4857 0.2804-0.0000 ( 5148 PWs) bands (ev): -19.3220 -19.3220 -13.6437 -13.6437 -12.9671 -12.9671 -12.1730 -12.1730 -11.4140 -11.4140 -11.0014 -11.0014 -10.6564 -10.6564 -5.9568 -5.9568 -4.0754 -4.0754 -3.9563 -3.9563 -2.8549 -2.8549 -1.2431 -1.2431 0.3137 0.3137 0.7611 0.7611 1.1942 1.1942 1.4277 1.4277 2.0624 2.0624 2.8327 2.8327 2.9378 2.9378 3.6777 3.6777 3.7534 3.7534 4.1116 4.1116 4.2718 4.2718 4.5077 4.5077 4.6243 4.6243 4.7152 4.7152 4.7576 4.7576 4.9928 4.9928 10.5868 10.5868 10.9587 10.9587 11.7855 11.7855 12.6197 12.6197 12.7165 12.7165 13.7524 13.7524 k = 0.5000 0.2887-0.0000 ( 5148 PWs) bands (ev): -19.3219 -19.3219 -13.6411 -13.6411 -12.9703 -12.9703 -12.1733 -12.1733 -11.4127 -11.4127 -11.0025 -11.0025 -10.6563 -10.6563 -5.9569 -5.9569 -4.0756 -4.0756 -3.9564 -3.9564 -2.8502 -2.8502 -1.2471 -1.2471 0.3173 0.3173 0.7575 0.7575 1.1946 1.1946 1.4290 1.4290 2.0634 2.0634 2.8303 2.8303 2.9402 2.9402 3.6775 3.6775 3.7513 3.7513 4.1109 4.1109 4.2708 4.2708 4.5100 4.5100 4.6274 4.6274 4.7118 4.7118 4.7560 4.7560 4.9929 4.9929 10.5960 10.5960 10.9540 10.9540 11.7815 11.7815 12.6200 12.6200 12.7174 12.7174 13.7575 13.7575 k = 0.5000 0.2887-0.0000 ( 5148 PWs) bands (ev): -19.3219 -19.3219 -13.6411 -13.6411 -12.9703 -12.9703 -12.1733 -12.1733 -11.4127 -11.4127 -11.0025 -11.0025 -10.6563 -10.6563 -5.9569 -5.9569 -4.0756 -4.0756 -3.9564 -3.9564 -2.8502 -2.8502 -1.2471 -1.2471 0.3173 0.3173 0.7575 0.7575 1.1946 1.1946 1.4290 1.4290 2.0634 2.0634 2.8303 2.8303 2.9402 2.9402 3.6775 3.6775 3.7513 3.7513 4.1109 4.1109 4.2708 4.2708 4.5100 4.5100 4.6274 4.6274 4.7118 4.7118 4.7560 4.7560 4.9929 4.9929 10.5960 10.5960 10.9540 10.9540 11.7815 11.7815 12.6200 12.6200 12.7174 12.7174 13.7575 13.7575 k = 0.4917 0.3031-0.0000 ( 5152 PWs) bands (ev): -19.3219 -19.3219 -13.6403 -13.6403 -12.9713 -12.9713 -12.1735 -12.1735 -11.4122 -11.4122 -11.0035 -11.0035 -10.6558 -10.6558 -5.9569 -5.9569 -4.0757 -4.0757 -3.9567 -3.9567 -2.8478 -2.8478 -1.2497 -1.2497 0.3173 0.3173 0.7574 0.7574 1.1963 1.1963 1.4303 1.4303 2.0634 2.0634 2.8288 2.8288 2.9360 2.9360 3.6810 3.6810 3.7532 3.7532 4.1116 4.1116 4.2707 4.2707 4.5081 4.5081 4.6267 4.6267 4.7125 4.7125 4.7556 4.7556 4.9929 4.9929 10.5968 10.5968 10.9542 10.9542 11.7825 11.7825 12.6154 12.6154 12.7166 12.7166 13.7608 13.7608 k = 0.4833 0.3175-0.0000 ( 5152 PWs) bands (ev): -19.3219 -19.3219 -13.6378 -13.6378 -12.9742 -12.9742 -12.1739 -12.1739 -11.4107 -11.4107 -11.0063 -11.0063 -10.6543 -10.6543 -5.9570 -5.9570 -4.0758 -4.0758 -3.9575 -3.9575 -2.8406 -2.8406 -1.2574 -1.2574 0.3173 0.3173 0.7572 0.7572 1.2013 1.2013 1.4341 1.4341 2.0634 2.0634 2.8241 2.8241 2.9237 2.9237 3.6910 3.6910 3.7587 3.7587 4.1135 4.1135 4.2706 4.2706 4.5027 4.5027 4.6246 4.6246 4.7145 4.7145 4.7544 4.7544 4.9928 4.9928 10.5991 10.5991 10.9550 10.9550 11.7853 11.7853 12.6018 12.6018 12.7145 12.7145 13.7701 13.7701 k = 0.4750 0.3320-0.0000 ( 5154 PWs) bands (ev): -19.3219 -19.3219 -13.6336 -13.6336 -12.9790 -12.9790 -12.1746 -12.1746 -11.4082 -11.4082 -11.0108 -11.0108 -10.6519 -10.6519 -5.9572 -5.9572 -4.0760 -4.0760 -3.9588 -3.9588 -2.8287 -2.8287 -1.2702 -1.2702 0.3175 0.3175 0.7566 0.7566 1.2094 1.2094 1.4404 1.4404 2.0635 2.0635 2.8166 2.8166 2.9040 2.9040 3.7069 3.7069 3.7677 3.7677 4.1168 4.1168 4.2703 4.2703 4.4942 4.4942 4.6212 4.6212 4.7173 4.7173 4.7522 4.7522 4.9927 4.9927 10.6030 10.6030 10.9562 10.9562 11.7901 11.7901 12.5797 12.5797 12.7116 12.7116 13.7837 13.7837 k = 0.4667 0.3464-0.0000 ( 5151 PWs) bands (ev): -19.3219 -19.3219 -13.6278 -13.6278 -12.9858 -12.9858 -12.1756 -12.1756 -11.4046 -11.4046 -11.0170 -11.0170 -10.6487 -10.6487 -5.9575 -5.9575 -4.0762 -4.0762 -3.9606 -3.9606 -2.8121 -2.8121 -1.2879 -1.2879 0.3181 0.3181 0.7555 0.7555 1.2206 1.2206 1.4492 1.4492 2.0637 2.0637 2.8063 2.8063 2.8781 2.8781 3.7277 3.7277 3.7798 3.7798 4.1213 4.1213 4.2696 4.2696 4.4834 4.4834 4.6166 4.6166 4.7203 4.7203 4.7490 4.7490 4.9926 4.9926 10.6084 10.6084 10.9578 10.9578 11.7967 11.7967 12.5500 12.5500 12.7086 12.7086 13.7992 13.7992 k = 0.4583 0.3608-0.0000 ( 5147 PWs) bands (ev): -19.3218 -19.3218 -13.6204 -13.6204 -12.9944 -12.9944 -12.1768 -12.1768 -11.4002 -11.4002 -11.0247 -11.0247 -10.6449 -10.6449 -5.9578 -5.9578 -4.0766 -4.0766 -3.9627 -3.9627 -2.7910 -2.7910 -1.3103 -1.3103 0.3191 0.3191 0.7537 0.7537 1.2346 1.2346 1.4604 1.4604 2.0642 2.0642 2.7935 2.7935 2.8470 2.8470 3.7522 3.7522 3.7949 3.7949 4.1271 4.1271 4.2685 4.2685 4.4711 4.4711 4.6111 4.6111 4.7230 4.7230 4.7445 4.7445 4.9928 4.9928 10.6155 10.6155 10.9598 10.9598 11.8049 11.8049 12.5142 12.5142 12.7054 12.7054 13.8144 13.8144 k = 0.4500 0.3753-0.0000 ( 5143 PWs) bands (ev): -19.3218 -19.3218 -13.6112 -13.6112 -13.0049 -13.0049 -12.1783 -12.1783 -11.3947 -11.3947 -11.0337 -11.0337 -10.6407 -10.6407 -5.9582 -5.9582 -4.0770 -4.0770 -3.9650 -3.9650 -2.7655 -2.7655 -1.3373 -1.3373 0.3208 0.3208 0.7507 0.7507 1.2510 1.2510 1.4739 1.4739 2.0649 2.0649 2.7783 2.7783 2.8122 2.8122 3.7793 3.7793 3.8125 3.8125 4.1341 4.1341 4.2667 4.2667 4.4582 4.4582 4.6047 4.6047 4.7246 4.7246 4.7388 4.7388 4.9932 4.9932 10.6240 10.6240 10.9618 10.9618 11.8148 11.8148 12.4741 12.4741 12.7022 12.7022 13.8277 13.8277 k = 0.4417 0.3897-0.0000 ( 5149 PWs) bands (ev): -19.3217 -19.3217 -13.6005 -13.6005 -13.0173 -13.0173 -12.1799 -12.1799 -11.3883 -11.3883 -11.0438 -11.0438 -10.6362 -10.6362 -5.9587 -5.9587 -4.0776 -4.0776 -3.9676 -3.9676 -2.7359 -2.7359 -1.3686 -1.3686 0.3236 0.3236 0.7464 0.7464 1.2696 1.2696 1.4896 1.4896 2.0662 2.0662 2.7586 2.7586 2.7772 2.7772 3.8079 3.8079 3.8324 3.8324 4.1423 4.1423 4.2637 4.2637 4.4455 4.4455 4.5976 4.5976 4.7241 4.7241 4.7325 4.7325 4.9940 4.9940 10.6342 10.6342 10.9639 10.9639 11.8260 11.8260 12.4312 12.4312 12.6990 12.6990 13.8386 13.8386 k = 0.4333 0.4041-0.0000 ( 5163 PWs) bands (ev): -19.3216 -19.3216 -13.5881 -13.5881 -13.0315 -13.0315 -12.1817 -12.1817 -11.3809 -11.3809 -11.0549 -11.0549 -10.6315 -10.6315 -5.9592 -5.9592 -4.0782 -4.0782 -3.9702 -3.9702 -2.7022 -2.7022 -1.4040 -1.4040 0.3275 0.3275 0.7404 0.7404 1.2898 1.2898 1.5072 1.5072 2.0682 2.0682 2.7255 2.7255 2.7518 2.7518 3.8367 3.8367 3.8545 3.8545 4.1517 4.1517 4.2591 4.2591 4.4339 4.4339 4.5900 4.5900 4.7188 4.7188 4.7278 4.7278 4.9951 4.9951 10.6458 10.6458 10.9658 10.9658 11.8385 11.8385 12.3868 12.3868 12.6957 12.6957 13.8475 13.8475 k = 0.4250 0.4186-0.0000 ( 5161 PWs) bands (ev): -19.3216 -19.3216 -13.5742 -13.5742 -13.0474 -13.0474 -12.1835 -12.1835 -11.3726 -11.3726 -11.0668 -11.0668 -10.6269 -10.6269 -5.9597 -5.9597 -4.0789 -4.0789 -3.9728 -3.9728 -2.6647 -2.6647 -1.4432 -1.4432 0.3329 0.3329 0.7328 0.7328 1.3112 1.3112 1.5264 1.5264 2.0711 2.0711 2.6840 2.6840 2.7326 2.7326 3.8641 3.8641 3.8794 3.8794 4.1621 4.1621 4.2527 4.2527 4.4243 4.4243 4.5818 4.5818 4.7093 4.7093 4.7244 4.7244 4.9966 4.9966 10.6589 10.6589 10.9673 10.9673 11.8519 11.8519 12.3421 12.3421 12.6923 12.6923 13.8548 13.8548 k = 0.4167 0.4330-0.0000 ( 5157 PWs) bands (ev): -19.3215 -19.3215 -13.5586 -13.5586 -13.0651 -13.0651 -12.1854 -12.1854 -11.3634 -11.3634 -11.0794 -11.0794 -10.6224 -10.6224 -5.9602 -5.9602 -4.0797 -4.0797 -3.9754 -3.9754 -2.6236 -2.6236 -1.4859 -1.4859 0.3398 0.3398 0.7232 0.7232 1.3333 1.3333 1.5470 1.5470 2.0752 2.0752 2.6401 2.6401 2.7142 2.7142 3.8895 3.8895 3.9067 3.9067 4.1736 4.1736 4.2440 4.2440 4.4173 4.4173 4.5733 4.5733 4.6979 4.6979 4.7198 4.7198 4.9985 4.9985 10.6736 10.6736 10.9682 10.9682 11.8661 11.8661 12.2982 12.2982 12.6889 12.6889 13.8612 13.8612 k = 0.4083 0.4474-0.0000 ( 5157 PWs) bands (ev): -19.3214 -19.3214 -13.5415 -13.5415 -13.0844 -13.0844 -12.1874 -12.1874 -11.3534 -11.3534 -11.0926 -11.0926 -10.6182 -10.6182 -5.9608 -5.9608 -4.0806 -4.0806 -3.9778 -3.9778 -2.5791 -2.5791 -1.5320 -1.5320 0.3485 0.3485 0.7117 0.7117 1.3555 1.3555 1.5685 1.5685 2.0808 2.0808 2.5952 2.5952 2.6961 2.6961 3.9133 3.9133 3.9348 3.9348 4.1859 4.1859 4.2329 4.2329 4.4133 4.4133 4.5644 4.5644 4.6855 4.6855 4.7134 4.7134 5.0006 5.0006 10.6896 10.6896 10.9683 10.9683 11.8805 11.8805 12.2558 12.2558 12.6856 12.6856 13.8672 13.8672 k = 0.4000 0.4619-0.0000 ( 5153 PWs) bands (ev): -19.3213 -19.3213 -13.5228 -13.5228 -13.1053 -13.1053 -12.1893 -12.1893 -11.3425 -11.3425 -11.1063 -11.1063 -10.6143 -10.6143 -5.9613 -5.9613 -4.0815 -4.0815 -3.9800 -3.9800 -2.5314 -2.5314 -1.5810 -1.5810 0.3590 0.3590 0.6982 0.6982 1.3772 1.3772 1.5903 1.5903 2.0883 2.0883 2.5500 2.5500 2.6786 2.6786 3.9364 3.9364 3.9623 3.9623 4.1987 4.1987 4.2198 4.2198 4.4125 4.4125 4.5551 4.5551 4.6725 4.6725 4.7054 4.7054 5.0028 5.0028 10.7070 10.7070 10.9672 10.9672 11.8950 11.8950 12.2156 12.2156 12.6824 12.6824 13.8729 13.8729 k = 0.3917 0.4763-0.0000 ( 5145 PWs) bands (ev): -19.3213 -19.3213 -13.5026 -13.5026 -13.1277 -13.1277 -12.1911 -12.1911 -11.3308 -11.3308 -11.1204 -11.1204 -10.6108 -10.6108 -5.9618 -5.9618 -4.0824 -4.0824 -3.9820 -3.9820 -2.4806 -2.4806 -1.6329 -1.6329 0.3715 0.3715 0.6828 0.6828 1.3979 1.3979 1.6120 1.6120 2.0980 2.0980 2.5051 2.5051 2.6619 2.6619 3.9587 3.9587 3.9883 3.9883 4.2040 4.2040 4.2130 4.2130 4.4146 4.4146 4.5454 4.5454 4.6596 4.6596 4.6956 4.6956 5.0051 5.0051 10.7257 10.7257 10.9647 10.9647 11.9091 11.9091 12.1785 12.1785 12.6795 12.6795 13.8786 13.8786 k = 0.3833 0.4907-0.0000 ( 5167 PWs) bands (ev): -19.3212 -19.3212 -13.4809 -13.4809 -13.1515 -13.1515 -12.1928 -12.1928 -11.3183 -11.3183 -11.1350 -11.1350 -10.6077 -10.6077 -5.9624 -5.9624 -4.0833 -4.0833 -3.9838 -3.9838 -2.4271 -2.4271 -1.6874 -1.6874 0.3859 0.3859 0.6655 0.6655 1.4169 1.4169 1.6330 1.6330 2.1102 2.1102 2.4610 2.4610 2.6463 2.6463 3.9802 3.9802 4.0121 4.0121 4.1883 4.1883 4.2259 4.2259 4.4194 4.4194 4.5354 4.5354 4.6472 4.6472 4.6844 4.6844 5.0072 5.0072 10.7455 10.7455 10.9605 10.9605 11.9223 11.9223 12.1449 12.1449 12.6770 12.6770 13.8844 13.8844 k = 0.3750 0.5052-0.0000 ( 5175 PWs) bands (ev): -19.3211 -19.3211 -13.4577 -13.4577 -13.1767 -13.1767 -12.1943 -12.1943 -11.3050 -11.3050 -11.1498 -11.1498 -10.6051 -10.6051 -5.9628 -5.9628 -4.0841 -4.0841 -3.9853 -3.9853 -2.3709 -2.3709 -1.7443 -1.7443 0.4022 0.4022 0.6466 0.6466 1.4338 1.4338 1.6525 1.6525 2.1251 2.1251 2.4180 2.4180 2.6320 2.6320 4.0007 4.0007 4.0333 4.0333 4.1714 4.1714 4.2388 4.2388 4.4265 4.4265 4.5252 4.5252 4.6360 4.6360 4.6721 4.6721 5.0093 5.0093 10.7663 10.7663 10.9542 10.9542 11.9340 11.9340 12.1156 12.1156 12.6748 12.6748 13.8905 13.8905 k = 0.3667 0.5196-0.0000 ( 5187 PWs) bands (ev): -19.3211 -19.3211 -13.4331 -13.4331 -13.2031 -13.2031 -12.1957 -12.1957 -11.2911 -11.2911 -11.1651 -11.1651 -10.6029 -10.6029 -5.9632 -5.9632 -4.0849 -4.0849 -3.9865 -3.9865 -2.3123 -2.3123 -1.8034 -1.8034 0.4202 0.4202 0.6262 0.6262 1.4481 1.4481 1.6699 1.6699 2.1429 2.1429 2.3768 2.3768 2.6195 2.6195 4.0203 4.0203 4.0514 4.0514 4.1542 4.1542 4.2506 4.2506 4.4355 4.4355 4.5148 4.5148 4.6265 4.6265 4.6593 4.6593 5.0110 5.0110 10.7879 10.7879 10.9455 10.9455 11.9438 11.9438 12.0912 12.0912 12.6732 12.6732 13.8969 13.8969 k = 0.3583 0.5340-0.0000 ( 5187 PWs) bands (ev): -19.3211 -19.3211 -13.4071 -13.4071 -13.2306 -13.2306 -12.1968 -12.1968 -11.2765 -11.2765 -11.1806 -11.1806 -10.6013 -10.6013 -5.9636 -5.9636 -4.0855 -4.0855 -3.9874 -3.9874 -2.2515 -2.2515 -1.8644 -1.8644 0.4398 0.4398 0.6048 0.6048 1.4595 1.4595 1.6845 1.6845 2.1635 2.1635 2.3378 2.3378 2.6090 2.6090 4.0387 4.0387 4.0660 4.0660 4.1371 4.1371 4.2607 4.2607 4.4459 4.4459 4.5046 4.5046 4.6191 4.6191 4.6466 4.6466 5.0125 5.0125 10.8103 10.8103 10.9340 10.9340 11.9508 11.9508 12.0724 12.0724 12.6721 12.6721 13.9040 13.9040 k = 0.3500 0.5485-0.0000 ( 5177 PWs) bands (ev): -19.3210 -19.3210 -13.3798 -13.3798 -13.2590 -13.2590 -12.1976 -12.1976 -11.2613 -11.2613 -11.1964 -11.1964 -10.6001 -10.6001 -5.9638 -5.9638 -4.0861 -4.0861 -3.9881 -3.9881 -2.1888 -2.1888 -1.9273 -1.9273 0.4600 0.4600 0.5832 0.5832 1.4678 1.4678 1.6957 1.6957 2.1865 2.1865 2.3017 2.3017 2.6010 2.6010 4.0560 4.0560 4.0769 4.0769 4.1204 4.1204 4.2684 4.2684 4.4569 4.4569 4.4949 4.4949 4.6142 4.6142 4.6351 4.6351 5.0136 5.0136 10.8333 10.8333 10.9196 10.9196 11.9549 11.9549 12.0598 12.0598 12.6715 12.6715 13.9116 13.9116 k = 0.3417 0.5629-0.0000 ( 5175 PWs) bands (ev): -19.3210 -19.3210 -13.3517 -13.3517 -13.2878 -13.2878 -12.1981 -12.1981 -11.2455 -11.2455 -11.2125 -11.2125 -10.5994 -10.5994 -5.9640 -5.9640 -4.0864 -4.0864 -3.9885 -3.9885 -2.1243 -2.1243 -1.9919 -1.9919 0.4787 0.4787 0.5636 0.5636 1.4727 1.4727 1.7028 1.7028 2.2112 2.2112 2.2692 2.2692 2.5958 2.5958 4.0718 4.0718 4.0839 4.0839 4.1046 4.1046 4.2731 4.2731 4.4676 4.4676 4.4859 4.4859 4.6118 4.6118 4.6264 4.6264 5.0143 5.0143 10.8566 10.8566 10.9017 10.9017 11.9563 11.9563 12.0531 12.0531 12.6712 12.6712 13.9188 13.9189 k = 0.3333 0.5774-0.0000 ( 5175 PWs) bands (ev): -19.3210 -19.3210 -13.3300 -13.3300 -13.3098 -13.3098 -12.1983 -12.1983 -11.2306 -11.2306 -11.2275 -11.2275 -10.5992 -10.5992 -5.9641 -5.9641 -4.0865 -4.0865 -3.9886 -3.9886 -2.0612 -2.0612 -2.0549 -2.0549 0.4879 0.4879 0.5540 0.5540 1.4743 1.4743 1.7053 1.7053 2.2310 2.2310 2.2469 2.2469 2.5939 2.5939 4.0818 4.0818 4.0873 4.0873 4.0934 4.0934 4.2746 4.2746 4.4752 4.4752 4.4792 4.4792 4.6111 4.6111 4.6230 4.6230 5.0145 5.0145 10.8791 10.8791 10.8811 10.8811 11.9564 11.9564 12.0512 12.0512 12.6712 12.6712 13.9225 13.9225 k = 0.3333 0.5774-0.0000 ( 5175 PWs) bands (ev): -19.3210 -19.3210 -13.3300 -13.3300 -13.3098 -13.3098 -12.1983 -12.1983 -11.2306 -11.2306 -11.2275 -11.2275 -10.5992 -10.5992 -5.9641 -5.9641 -4.0865 -4.0865 -3.9886 -3.9886 -2.0612 -2.0612 -2.0549 -2.0549 0.4879 0.4879 0.5540 0.5540 1.4743 1.4743 1.7053 1.7053 2.2310 2.2310 2.2469 2.2469 2.5939 2.5939 4.0818 4.0818 4.0873 4.0873 4.0934 4.0934 4.2746 4.2746 4.4752 4.4752 4.4792 4.4792 4.6111 4.6111 4.6230 4.6230 5.0145 5.0145 10.8791 10.8791 10.8811 10.8811 11.9564 11.9564 12.0512 12.0512 12.6712 12.6712 13.9225 13.9225 k = 0.3250 0.5629-0.0000 ( 5171 PWs) bands (ev): -19.3210 -19.3210 -13.3527 -13.3527 -13.2868 -13.2868 -12.1981 -12.1981 -11.2459 -11.2459 -11.2122 -11.2122 -10.5994 -10.5994 -5.9640 -5.9640 -4.0864 -4.0864 -3.9885 -3.9885 -2.1256 -2.1256 -1.9905 -1.9905 0.4778 0.4778 0.5644 0.5644 1.4727 1.4727 1.7027 1.7027 2.2128 2.2128 2.2674 2.2674 2.5960 2.5960 4.0723 4.0723 4.0846 4.0846 4.1033 4.1033 4.2732 4.2732 4.4688 4.4688 4.4842 4.4842 4.6124 4.6124 4.6262 4.6262 5.0143 5.0143 10.8545 10.8545 10.9036 10.9036 11.9569 11.9569 12.0526 12.0526 12.6711 12.6711 13.9167 13.9167 k = 0.3167 0.5485-0.0000 ( 5173 PWs) bands (ev): -19.3210 -19.3210 -13.3837 -13.3837 -13.2549 -13.2549 -12.1975 -12.1975 -11.2629 -11.2629 -11.1949 -11.1949 -10.6001 -10.6001 -5.9638 -5.9638 -4.0860 -4.0860 -3.9881 -3.9881 -2.1944 -2.1944 -1.9220 -1.9220 0.4557 0.4557 0.5875 0.5875 1.4681 1.4681 1.6948 1.6948 2.1926 2.1926 2.2938 2.2938 2.6025 2.6025 4.0591 4.0591 4.0785 4.0785 4.1159 4.1159 4.2694 4.2694 4.4609 4.4609 4.4877 4.4877 4.6178 4.6178 4.6344 4.6344 5.0136 5.0136 10.8247 10.8247 10.9270 10.9270 11.9590 11.9590 12.0564 12.0564 12.6709 12.6709 13.8984 13.8984 k = 0.3083 0.5340-0.0000 ( 5183 PWs) bands (ev): -19.3211 -19.3211 -13.4157 -13.4157 -13.2213 -13.2213 -12.1966 -12.1966 -11.2802 -11.2802 -11.1773 -11.1773 -10.6011 -10.6011 -5.9635 -5.9635 -4.0853 -4.0853 -3.9874 -3.9874 -2.2642 -2.2642 -1.8525 -1.8525 0.4293 0.4293 0.6154 0.6154 1.4606 1.4606 1.6817 1.6817 2.1760 2.1760 2.3194 2.3194 2.6141 2.6141 4.0464 4.0464 4.0687 4.0687 4.1276 4.1276 4.2641 4.2641 4.4527 4.4527 4.4885 4.4885 4.6280 4.6280 4.6460 4.6460 5.0124 5.0124 10.7906 10.7906 10.9502 10.9502 11.9638 11.9638 12.0618 12.0618 12.6702 12.6702 13.8705 13.8705 k = 0.3000 0.5196-0.0000 ( 5179 PWs) bands (ev): -19.3211 -19.3211 -13.4482 -13.4482 -13.1865 -13.1865 -12.1952 -12.1952 -11.2978 -11.2978 -11.1594 -11.1594 -10.6026 -10.6026 -5.9630 -5.9630 -4.0843 -4.0843 -3.9865 -3.9865 -2.3351 -2.3351 -1.7823 -1.7823 0.4011 0.4011 0.6455 0.6455 1.4505 1.4505 1.6639 1.6639 2.1628 2.1628 2.3432 2.3432 2.6312 2.6312 4.0340 4.0340 4.0558 4.0558 4.1383 4.1383 4.2580 4.2580 4.4442 4.4442 4.4877 4.4877 4.6420 4.6420 4.6602 4.6602 5.0107 5.0107 10.7519 10.7519 10.9731 10.9731 11.9714 11.9714 12.0688 12.0688 12.6687 12.6687 13.8361 13.8361 k = 0.2917 0.5052-0.0000 ( 5177 PWs) bands (ev): -19.3212 -19.3212 -13.4811 -13.4811 -13.1505 -13.1505 -12.1934 -12.1934 -11.3157 -11.3157 -11.1412 -11.1412 -10.6044 -10.6044 -5.9623 -5.9623 -4.0830 -4.0830 -3.9854 -3.9854 -2.4069 -2.4069 -1.7117 -1.7117 0.3722 0.3722 0.6768 0.6768 1.4381 1.4381 1.6419 1.6419 2.1520 2.1520 2.3649 2.3649 2.6539 2.6539 4.0207 4.0207 4.0418 4.0418 4.1477 4.1477 4.2519 4.2519 4.4353 4.4353 4.4865 4.4865 4.6587 4.6587 4.6764 4.6764 5.0086 5.0086 10.7086 10.7086 10.9957 10.9957 11.9819 11.9819 12.0775 12.0775 12.6664 12.6664 13.7972 13.7972 k = 0.2833 0.4907-0.0000 ( 5175 PWs) bands (ev): -19.3213 -19.3213 -13.5141 -13.5141 -13.1134 -13.1134 -12.1912 -12.1912 -11.3338 -11.3338 -11.1227 -11.1227 -10.6065 -10.6065 -5.9615 -5.9615 -4.0814 -4.0814 -3.9840 -3.9840 -2.4794 -2.4794 -1.6408 -1.6408 0.3430 0.3430 0.7088 0.7088 1.4236 1.4236 1.6166 1.6166 2.1428 2.1428 2.3845 2.3845 2.6819 2.6819 4.0039 4.0039 4.0299 4.0299 4.1559 4.1559 4.2464 4.2464 4.4262 4.4262 4.4857 4.4857 4.6769 4.6769 4.6938 4.6938 5.0060 5.0060 10.6608 10.6608 11.0179 11.0179 11.9951 11.9951 12.0882 12.0882 12.6631 12.6631 13.7549 13.7549 k = 0.2750 0.4763-0.0000 ( 5161 PWs) bands (ev): -19.3214 -19.3214 -13.5473 -13.5473 -13.0754 -13.0754 -12.1886 -12.1886 -11.3522 -11.3522 -11.1042 -11.1042 -10.6090 -10.6090 -5.9605 -5.9605 -4.0794 -4.0794 -3.9823 -3.9823 -2.5526 -2.5526 -1.5700 -1.5700 0.3137 0.3137 0.7410 0.7410 1.4071 1.4071 1.5888 1.5888 2.1341 2.1341 2.4025 2.4025 2.7147 2.7147 3.9831 3.9831 4.0213 4.0213 4.1626 4.1626 4.2418 4.2418 4.4170 4.4170 4.4857 4.4857 4.6959 4.6959 4.7119 4.7119 5.0031 5.0031 10.6086 10.6086 11.0398 11.0398 12.0104 12.0104 12.1014 12.1014 12.6585 12.6585 13.7100 13.7100 k = 0.2667 0.4619-0.0000 ( 5157 PWs) bands (ev): -19.3216 -19.3216 -13.5804 -13.5804 -13.0365 -13.0365 -12.1855 -12.1855 -11.3708 -11.3708 -11.0855 -11.0855 -10.6119 -10.6119 -5.9593 -5.9593 -4.0771 -4.0771 -3.9804 -3.9804 -2.6262 -2.6262 -1.4994 -1.4994 0.2846 0.2846 0.7730 0.7730 1.3890 1.3890 1.5592 1.5592 2.1250 2.1250 2.4195 2.4195 2.7516 2.7516 3.9597 3.9597 4.0156 4.0156 4.1678 4.1678 4.2382 4.2382 4.4080 4.4080 4.4866 4.4866 4.7153 4.7153 4.7304 4.7304 4.9998 4.9998 10.5519 10.5519 11.0615 11.0615 12.0274 12.0274 12.1174 12.1174 12.6528 12.6528 13.6631 13.6631 k = 0.2583 0.4474-0.0000 ( 5169 PWs) bands (ev): -19.3218 -19.3218 -13.6134 -13.6134 -12.9968 -12.9968 -12.1820 -12.1820 -11.3895 -11.3895 -11.0669 -11.0669 -10.6150 -10.6150 -5.9580 -5.9580 -4.0744 -4.0744 -3.9782 -3.9782 -2.7002 -2.7002 -1.4292 -1.4292 0.2560 0.2560 0.8043 0.8043 1.3693 1.3693 1.5285 1.5285 2.1147 2.1147 2.4364 2.4364 2.7919 2.7919 3.9350 3.9350 4.0119 4.0119 4.1715 4.1715 4.2354 4.2354 4.3998 4.3998 4.4885 4.4885 4.7346 4.7346 4.7490 4.7490 4.9962 4.9962 10.4911 10.4911 11.0830 11.0830 12.0456 12.0456 12.1365 12.1365 12.6458 12.6458 13.6147 13.6147 k = 0.2500 0.4330-0.0000 ( 5165 PWs) bands (ev): -19.3219 -19.3219 -13.6461 -13.6461 -12.9564 -12.9564 -12.1781 -12.1781 -11.4084 -11.4084 -11.0483 -11.0483 -10.6184 -10.6184 -5.9564 -5.9564 -4.0713 -4.0713 -3.9758 -3.9758 -2.7744 -2.7744 -1.3598 -1.3598 0.2280 0.2280 0.8345 0.8345 1.3484 1.3484 1.4973 1.4973 2.1024 2.1024 2.4538 2.4538 2.8351 2.8351 3.9099 3.9099 4.0101 4.0101 4.1735 4.1735 4.2332 4.2332 4.3928 4.3928 4.4912 4.4912 4.7534 4.7534 4.7672 4.7672 4.9923 4.9923 10.4264 10.4264 11.1045 11.1045 12.0644 12.0644 12.1587 12.1587 12.6377 12.6377 13.5651 13.5651 k = 0.2417 0.4186-0.0000 ( 5165 PWs) bands (ev): -19.3222 -19.3222 -13.6786 -13.6786 -12.9153 -12.9153 -12.1738 -12.1738 -11.4274 -11.4274 -11.0298 -11.0298 -10.6221 -10.6221 -5.9547 -5.9547 -4.0679 -4.0679 -3.9731 -3.9731 -2.8488 -2.8488 -1.2912 -1.2912 0.2009 0.2009 0.8633 0.8633 1.3263 1.3263 1.4659 1.4659 2.0877 2.0877 2.4724 2.4724 2.8807 2.8807 3.8853 3.8853 4.0101 4.0101 4.1731 4.1731 4.2317 4.2317 4.3877 4.3877 4.4947 4.4947 4.7717 4.7717 4.7851 4.7851 4.9883 4.9883 10.3581 10.3581 11.1260 11.1260 12.0838 12.0838 12.1837 12.1837 12.6286 12.6286 13.5148 13.5148 k = 0.2333 0.4041-0.0000 ( 5153 PWs) bands (ev): -19.3224 -19.3224 -13.7106 -13.7106 -12.8736 -12.8736 -12.1691 -12.1691 -11.4464 -11.4464 -11.0115 -11.0115 -10.6260 -10.6260 -5.9528 -5.9528 -4.0641 -4.0641 -3.9702 -3.9702 -2.9230 -2.9230 -1.2238 -1.2238 0.1746 0.1746 0.8900 0.8900 1.3032 1.3032 1.4349 1.4349 2.0701 2.0701 2.4927 2.4927 2.9284 2.9284 3.8615 3.8615 4.0117 4.0117 4.1697 4.1697 4.2311 4.2311 4.3850 4.3850 4.4988 4.4988 4.7892 4.7892 4.8023 4.8023 4.9841 4.9841 10.2863 10.2863 11.1477 11.1477 12.1036 12.1036 12.2111 12.2111 12.6185 12.6185 13.4639 13.4639 k = 0.2250 0.3897-0.0000 ( 5157 PWs) bands (ev): -19.3226 -19.3226 -13.7422 -13.7422 -12.8315 -12.8315 -12.1640 -12.1640 -11.4655 -11.4655 -10.9934 -10.9934 -10.6302 -10.6302 -5.9507 -5.9507 -4.0600 -4.0600 -3.9671 -3.9671 -2.9971 -2.9971 -1.1576 -1.1576 0.1495 0.1495 0.9143 0.9143 1.2794 1.2794 1.4045 1.4045 2.0494 2.0494 2.5153 2.5153 2.9780 2.9780 3.8391 3.8391 4.0148 4.0148 4.1622 4.1622 4.2321 4.2321 4.3850 4.3850 4.5035 4.5035 4.8056 4.8056 4.8188 4.8188 4.9799 4.9799 10.2116 10.2116 11.1697 11.1697 12.1237 12.1237 12.2402 12.2402 12.6077 12.6077 13.4130 13.4130 k = 0.2167 0.3753-0.0000 ( 5153 PWs) bands (ev): -19.3229 -19.3229 -13.7732 -13.7732 -12.7890 -12.7890 -12.1585 -12.1585 -11.4845 -11.4845 -10.9756 -10.9756 -10.6346 -10.6346 -5.9484 -5.9484 -4.0555 -4.0555 -3.9637 -3.9637 -3.0707 -3.0707 -1.0930 -1.0930 0.1256 0.1256 0.9357 0.9357 1.2550 1.2550 1.3751 1.3751 2.0254 2.0254 2.5405 2.5405 3.0293 3.0293 3.8184 3.8184 4.0195 4.0195 4.1503 4.1503 4.2348 4.2348 4.3876 4.3876 4.5086 4.5086 4.8207 4.8207 4.8345 4.8345 4.9758 4.9758 10.1340 10.1340 11.1920 11.1920 12.1441 12.1441 12.2704 12.2704 12.5964 12.5964 13.3621 13.3621 k = 0.2083 0.3608-0.0000 ( 5157 PWs) bands (ev): -19.3232 -19.3232 -13.8035 -13.8035 -12.7462 -12.7462 -12.1527 -12.1527 -11.5034 -11.5034 -10.9582 -10.9582 -10.6393 -10.6393 -5.9460 -5.9460 -4.0508 -4.0508 -3.9602 -3.9602 -3.1438 -3.1438 -1.0300 -1.0300 0.1030 0.1030 0.9538 0.9538 1.2303 1.2303 1.3468 1.3468 1.9981 1.9981 2.5688 2.5688 3.0822 3.0822 3.7996 3.7996 4.0256 4.0256 4.1344 4.1344 4.2392 4.2392 4.3926 4.3926 4.5141 4.5141 4.8342 4.8342 4.8495 4.8495 4.9719 4.9719 10.0541 10.0541 11.2147 11.2147 12.1646 12.1646 12.3010 12.3010 12.5848 12.5848 13.3118 13.3118 k = 0.2000 0.3464-0.0000 ( 5165 PWs) bands (ev): -19.3235 -19.3235 -13.8332 -13.8332 -12.7033 -12.7033 -12.1465 -12.1465 -11.5222 -11.5222 -10.9412 -10.9412 -10.6442 -10.6442 -5.9434 -5.9434 -4.0457 -4.0457 -3.9564 -3.9564 -3.2162 -3.2162 -0.9689 -0.9689 0.0819 0.0819 0.9680 0.9680 1.2056 1.2056 1.3198 1.3198 1.9675 1.9675 2.6003 2.6003 3.1366 3.1366 3.7829 3.7829 4.0331 4.0331 4.1151 4.1151 4.2446 4.2446 4.3997 4.3997 4.5199 4.5199 4.8459 4.8459 4.8637 4.8637 4.9684 4.9684 9.9722 9.9722 11.2378 11.2378 12.1849 12.1849 12.3314 12.3314 12.5733 12.5733 13.2623 13.2623 k = 0.1917 0.3320-0.0000 ( 5157 PWs) bands (ev): -19.3238 -19.3238 -13.8621 -13.8621 -12.6604 -12.6604 -12.1400 -12.1400 -11.5408 -11.5408 -10.9247 -10.9247 -10.6492 -10.6492 -5.9406 -5.9406 -4.0403 -4.0403 -3.9525 -3.9525 -3.2876 -3.2876 -0.9098 -0.9098 0.0622 0.0622 0.9780 0.9780 1.1813 1.1813 1.2944 1.2944 1.9338 1.9338 2.6353 2.6353 3.1923 3.1923 3.7682 3.7682 4.0419 4.0419 4.0931 4.0931 4.2507 4.2507 4.4085 4.4085 4.5258 4.5258 4.8556 4.8556 4.8771 4.8771 4.9654 4.9654 9.8885 9.8885 11.2615 11.2615 12.2047 12.2047 12.3609 12.3609 12.5623 12.5623 13.2139 13.2139 k = 0.1833 0.3175-0.0000 ( 5159 PWs) bands (ev): -19.3241 -19.3241 -13.8901 -13.8901 -12.6175 -12.6175 -12.1333 -12.1333 -11.5592 -11.5592 -10.9088 -10.9088 -10.6544 -10.6544 -5.9378 -5.9378 -4.0348 -4.0348 -3.9485 -3.9485 -3.3580 -3.3580 -0.8527 -0.8527 0.0442 0.0442 0.9834 0.9834 1.1578 1.1578 1.2707 1.2707 1.8973 1.8973 2.6739 2.6739 3.2492 3.2492 3.7556 3.7556 4.0518 4.0518 4.0689 4.0689 4.2570 4.2570 4.4187 4.4187 4.5320 4.5320 4.8631 4.8631 4.8897 4.8897 4.9631 4.9631 9.8034 9.8034 11.2858 11.2858 12.2234 12.2234 12.3888 12.3888 12.5521 12.5521 13.1670 13.1670 k = 0.1750 0.3031-0.0000 ( 5151 PWs) bands (ev): -19.3245 -19.3245 -13.9173 -13.9173 -12.5749 -12.5749 -12.1262 -12.1262 -11.5772 -11.5772 -10.8934 -10.8934 -10.6598 -10.6598 -5.9348 -5.9348 -4.0290 -4.0290 -3.9443 -3.9443 -3.4270 -3.4270 -0.7979 -0.7979 0.0277 0.0277 0.9839 0.9839 1.1353 1.1353 1.2489 1.2489 1.8582 1.8582 2.7162 2.7162 3.3072 3.3072 3.7450 3.7450 4.0430 4.0430 4.0628 4.0628 4.2632 4.2632 4.4300 4.4300 4.5383 4.5383 4.8681 4.8681 4.9014 4.9014 4.9616 4.9616 9.7174 9.7174 11.3106 11.3106 12.2404 12.2404 12.4143 12.4143 12.5436 12.5436 13.1218 13.1218 k = 0.1667 0.2887-0.0000 ( 5139 PWs) bands (ev): -19.3248 -19.3248 -13.9435 -13.9435 -12.5326 -12.5326 -12.1190 -12.1190 -11.5950 -11.5950 -10.8787 -10.8787 -10.6653 -10.6653 -5.9317 -5.9317 -4.0232 -4.0232 -3.9400 -3.9400 -3.4944 -3.4944 -0.7454 -0.7454 0.0130 0.0130 0.9795 0.9795 1.1140 1.1140 1.2293 1.2293 1.8169 1.8169 2.7619 2.7619 3.3661 3.3661 3.7364 3.7364 4.0159 4.0159 4.0746 4.0746 4.2691 4.2691 4.4421 4.4421 4.5447 4.5447 4.8708 4.8708 4.9121 4.9121 4.9611 4.9611 9.6307 9.6307 11.3360 11.3360 12.2550 12.2550 12.4366 12.4366 12.5374 12.5374 13.0788 13.0788 k = 0.1583 0.2742-0.0000 ( 5141 PWs) bands (ev): -19.3252 -19.3252 -13.9688 -13.9688 -12.4908 -12.4908 -12.1115 -12.1115 -11.6123 -11.6123 -10.8647 -10.8647 -10.6708 -10.6708 -5.9286 -5.9286 -4.0172 -4.0172 -3.9357 -3.9357 -3.5601 -3.5601 -0.6953 -0.6953 -0.0001 -0.0001 0.9704 0.9704 1.0938 1.0938 1.2120 1.2120 1.7737 1.7737 2.8110 2.8110 3.4257 3.4257 3.7294 3.7294 3.9878 3.9878 4.0872 4.0872 4.2746 4.2746 4.4548 4.4548 4.5512 4.5512 4.8711 4.8711 4.9219 4.9219 4.9613 4.9613 9.5437 9.5437 11.3619 11.3619 12.2666 12.2666 12.4543 12.4543 12.5348 12.5348 13.0381 13.0381 k = 0.1500 0.2598-0.0000 ( 5137 PWs) bands (ev): -19.3255 -19.3255 -13.9930 -13.9930 -12.4497 -12.4497 -12.1039 -12.1039 -11.6292 -11.6292 -10.8515 -10.8515 -10.6764 -10.6764 -5.9254 -5.9254 -4.0113 -4.0113 -3.9314 -3.9314 -3.6237 -3.6237 -0.6478 -0.6478 -0.0115 -0.0115 0.9576 0.9576 1.0744 1.0744 1.1968 1.1968 1.7292 1.7292 2.8631 2.8631 3.4857 3.4857 3.7241 3.7241 3.9593 3.9593 4.1005 4.1005 4.2794 4.2794 4.4676 4.4676 4.5577 4.5577 4.8694 4.8694 4.9305 4.9305 4.9621 4.9621 9.4568 9.4568 11.3884 11.3884 12.2747 12.2747 12.4664 12.4664 12.5365 12.5365 13.0001 13.0001 k = 0.1417 0.2454-0.0000 ( 5131 PWs) bands (ev): -19.3259 -19.3259 -14.0161 -14.0161 -12.4094 -12.4094 -12.0961 -12.0961 -11.6457 -11.6457 -10.8390 -10.8390 -10.6821 -10.6821 -5.9222 -5.9222 -4.0056 -4.0056 -3.9273 -3.9273 -3.6849 -3.6849 -0.6028 -0.6028 -0.0212 -0.0212 0.9419 0.9419 1.0554 1.0554 1.1836 1.1836 1.6837 1.6837 2.9180 2.9180 3.5457 3.5457 3.7201 3.7201 3.9306 3.9306 4.1142 4.1142 4.2835 4.2835 4.4806 4.4806 4.5643 4.5643 4.8659 4.8659 4.9379 4.9379 4.9635 4.9635 9.3704 9.3704 11.4153 11.4153 12.2790 12.2790 12.4732 12.4732 12.5421 12.5421 12.9649 12.9649 k = 0.1333 0.2309-0.0000 ( 5131 PWs) bands (ev): -19.3263 -19.3263 -14.0381 -14.0381 -12.3701 -12.3701 -12.0883 -12.0883 -11.6616 -11.6616 -10.8274 -10.8274 -10.6877 -10.6877 -5.9190 -5.9190 -4.0002 -4.0002 -3.9235 -3.9235 -3.7432 -3.7432 -0.5604 -0.5604 -0.0293 -0.0293 0.9245 0.9245 1.0365 1.0365 1.1721 1.1721 1.6377 1.6377 2.9752 2.9752 3.6054 3.6054 3.7174 3.7174 3.9023 3.9023 4.1282 4.1282 4.2868 4.2868 4.4933 4.4933 4.5708 4.5708 4.8607 4.8607 4.9440 4.9440 4.9654 4.9654 9.2849 9.2849 11.4426 11.4426 12.2796 12.2796 12.4760 12.4760 12.5494 12.5494 12.9326 12.9326 k = 0.1250 0.2165-0.0000 ( 5127 PWs) bands (ev): -19.3266 -19.3266 -14.0589 -14.0589 -12.3320 -12.3320 -12.0803 -12.0803 -11.6769 -11.6769 -10.8165 -10.8165 -10.6933 -10.6933 -5.9158 -5.9158 -3.9954 -3.9954 -3.9207 -3.9207 -3.7974 -3.7974 -0.5207 -0.5207 -0.0358 -0.0358 0.9061 0.9061 1.0178 1.0178 1.1619 1.1619 1.5916 1.5916 3.0343 3.0343 3.6637 3.6637 3.7158 3.7158 3.8752 3.8752 4.1424 4.1424 4.2893 4.2893 4.5058 4.5058 4.5773 4.5773 4.8541 4.8541 4.9485 4.9485 4.9678 4.9678 9.2007 9.2007 11.4702 11.4702 12.2770 12.2770 12.4765 12.4765 12.5565 12.5565 12.9031 12.9031 k = 0.1167 0.2021-0.0000 ( 5127 PWs) bands (ev): -19.3269 -19.3269 -14.0786 -14.0786 -12.2952 -12.2952 -12.0723 -12.0723 -11.6916 -11.6916 -10.8066 -10.8066 -10.6987 -10.6987 -5.9127 -5.9127 -3.9922 -3.9922 -3.9203 -3.9203 -3.8451 -3.8451 -0.4836 -0.4836 -0.0407 -0.0407 0.8874 0.8874 0.9992 0.9992 1.1526 1.1526 1.5461 1.5461 3.0949 3.0949 3.7135 3.7135 3.7199 3.7199 3.8515 3.8515 4.1565 4.1565 4.2909 4.2909 4.5179 4.5179 4.5838 4.5838 4.8461 4.8461 4.9514 4.9514 4.9707 4.9707 9.1183 9.1183 11.4980 11.4980 12.2715 12.2715 12.4755 12.4755 12.5618 12.5618 12.8765 12.8765 k = 0.1083 0.1876-0.0000 ( 5135 PWs) bands (ev): -19.3273 -19.3273 -14.0970 -14.0970 -12.2600 -12.2600 -12.0643 -12.0643 -11.7057 -11.7057 -10.7975 -10.7975 -10.7041 -10.7041 -5.9097 -5.9097 -3.9931 -3.9931 -3.9282 -3.9282 -3.8780 -3.8780 -0.4493 -0.4493 -0.0442 -0.0442 0.8691 0.8691 0.9809 0.9809 1.1438 1.1438 1.5014 1.5014 3.1563 3.1563 3.7147 3.7147 3.7598 3.7598 3.8412 3.8412 4.1704 4.1704 4.2916 4.2916 4.5294 4.5294 4.5902 4.5902 4.8367 4.8367 4.9531 4.9531 4.9739 4.9739 9.0381 9.0381 11.5259 11.5259 12.2640 12.2640 12.4733 12.4733 12.5649 12.5649 12.8524 12.8524 k = 0.1000 0.1732-0.0000 ( 5129 PWs) bands (ev): -19.3276 -19.3276 -14.1141 -14.1141 -12.2265 -12.2265 -12.0563 -12.0563 -11.7190 -11.7190 -10.7893 -10.7893 -10.7092 -10.7092 -5.9067 -5.9067 -4.0054 -4.0054 -3.9442 -3.9442 -3.8885 -3.8885 -0.4176 -0.4176 -0.0464 -0.0464 0.8513 0.8513 0.9633 0.9633 1.1354 1.1354 1.4582 1.4582 3.2181 3.2181 3.7153 3.7153 3.7642 3.7642 3.8671 3.8671 4.1840 4.1840 4.2913 4.2913 4.5404 4.5404 4.5964 4.5964 4.8259 4.8259 4.9539 4.9539 4.9772 4.9772 8.9606 8.9606 11.5537 11.5537 12.2550 12.2550 12.4700 12.4700 12.5654 12.5654 12.8307 12.8307 k = 0.0917 0.1588-0.0000 ( 5129 PWs) bands (ev): -19.3279 -19.3279 -14.1300 -14.1300 -12.1951 -12.1951 -12.0483 -12.0483 -11.7317 -11.7317 -10.7819 -10.7819 -10.7140 -10.7140 -5.9039 -5.9039 -4.0341 -4.0341 -3.9514 -3.9514 -3.8888 -3.8888 -0.3887 -0.3887 -0.0473 -0.0473 0.8344 0.8344 0.9464 0.9464 1.1271 1.1271 1.4171 1.4171 3.2797 3.2797 3.7163 3.7163 3.7465 3.7465 3.9146 3.9146 4.1971 4.1971 4.2900 4.2900 4.5508 4.5508 4.6024 4.6024 4.8138 4.8138 4.9540 4.9540 4.9803 4.9803 8.8864 8.8864 11.5812 11.5812 12.2451 12.2451 12.4659 12.4659 12.5635 12.5635 12.8110 12.8110 k = 0.0833 0.1443-0.0000 ( 5123 PWs) bands (ev): -19.3282 -19.3282 -14.1446 -14.1446 -12.1659 -12.1659 -12.0403 -12.0403 -11.7435 -11.7435 -10.7755 -10.7755 -10.7185 -10.7185 -5.9012 -5.9012 -4.0697 -4.0697 -3.9514 -3.9514 -3.8865 -3.8865 -0.3625 -0.3625 -0.0472 -0.0472 0.8186 0.8186 0.9304 0.9304 1.1188 1.1188 1.3784 1.3784 3.3405 3.3405 3.7175 3.7175 3.7248 3.7248 3.9653 3.9653 4.2096 4.2096 4.2877 4.2877 4.5606 4.5606 4.6081 4.6081 4.8003 4.8003 4.9539 4.9539 4.9832 4.9832 8.8160 8.8160 11.6083 11.6083 12.2347 12.2347 12.4610 12.4610 12.5595 12.5595 12.7931 12.7931 k = 0.0750 0.1299-0.0000 ( 5123 PWs) bands (ev): -19.3285 -19.3285 -14.1578 -14.1578 -12.1391 -12.1391 -12.0323 -12.0323 -11.7545 -11.7545 -10.7700 -10.7700 -10.7226 -10.7226 -5.8988 -5.8988 -4.1056 -4.1056 -3.9490 -3.9490 -3.8834 -3.8834 -0.3389 -0.3389 -0.0461 -0.0461 0.8041 0.8041 0.9156 0.9156 1.1101 1.1101 1.3430 1.3430 3.3998 3.3998 3.7030 3.7030 3.7191 3.7191 4.0149 4.0149 4.2213 4.2213 4.2845 4.2845 4.5699 4.5699 4.6135 4.6135 4.7856 4.7856 4.9536 4.9536 4.9857 4.9857 8.7499 8.7499 11.6347 11.6347 12.2243 12.2243 12.4557 12.4557 12.5538 12.5538 12.7769 12.7769 k = 0.0667 0.1155-0.0000 ( 5121 PWs) bands (ev): -19.3287 -19.3287 -14.1697 -14.1697 -12.1152 -12.1152 -12.0242 -12.0242 -11.7647 -11.7647 -10.7653 -10.7653 -10.7263 -10.7263 -5.8965 -5.8965 -4.1392 -4.1392 -3.9459 -3.9459 -3.8802 -3.8802 -0.3180 -0.3180 -0.0444 -0.0444 0.7909 0.7909 0.9019 0.9019 1.1009 1.1009 1.3112 1.3112 3.4569 3.4569 3.6825 3.6825 3.7207 3.7207 4.0620 4.0620 4.2320 4.2320 4.2804 4.2804 4.5787 4.5787 4.6184 4.6184 4.7697 4.7697 4.9532 4.9532 4.9880 4.9880 8.6887 8.6887 11.6600 11.6600 12.2142 12.2142 12.4500 12.4500 12.5469 12.5469 12.7621 12.7621 k = 0.0583 0.1010-0.0000 ( 5119 PWs) bands (ev): -19.3289 -19.3289 -14.1803 -14.1803 -12.0943 -12.0943 -12.0161 -12.0161 -11.7739 -11.7739 -10.7616 -10.7616 -10.7293 -10.7293 -5.8944 -5.8944 -4.1698 -4.1698 -3.9428 -3.9428 -3.8770 -3.8770 -0.2996 -0.2996 -0.0421 -0.0421 0.7792 0.7792 0.8897 0.8897 1.0912 1.0912 1.2835 1.2835 3.5110 3.5110 3.6638 3.6638 3.7223 3.7223 4.1056 4.1056 4.2415 4.2415 4.2758 4.2758 4.5871 4.5871 4.6229 4.6229 4.7531 4.7531 4.9527 4.9527 4.9900 4.9900 8.6330 8.6330 11.6840 11.6840 12.2046 12.2046 12.4443 12.4443 12.5393 12.5393 12.7488 12.7488 k = 0.0500 0.0866-0.0000 ( 5119 PWs) bands (ev): -19.3291 -19.3291 -14.1894 -14.1894 -12.0766 -12.0766 -12.0080 -12.0080 -11.7821 -11.7821 -10.7588 -10.7588 -10.7317 -10.7317 -5.8926 -5.8926 -4.1967 -4.1967 -3.9398 -3.9398 -3.8741 -3.8741 -0.2839 -0.2839 -0.0395 -0.0395 0.7691 0.7691 0.8789 0.8789 1.0810 1.0810 1.2604 1.2604 3.5610 3.5610 3.6475 3.6475 3.7238 3.7238 4.1449 4.1449 4.2494 4.2494 4.2713 4.2713 4.5950 4.5950 4.6269 4.6269 4.7359 4.7359 4.9523 4.9523 4.9917 4.9917 8.5833 8.5833 11.7061 11.7061 12.1958 12.1958 12.4385 12.4385 12.5316 12.5316 12.7370 12.7370 k = 0.0417 0.0722-0.0000 ( 5113 PWs) bands (ev): -19.3293 -19.3293 -14.1972 -14.1972 -12.0623 -12.0623 -12.0000 -12.0000 -11.7892 -11.7892 -10.7570 -10.7570 -10.7334 -10.7334 -5.8910 -5.8910 -4.2199 -4.2199 -3.9372 -3.9372 -3.8715 -3.8715 -0.2706 -0.2706 -0.0368 -0.0368 0.7605 0.7605 0.8697 0.8697 1.0706 1.0706 1.2417 1.2417 3.6038 3.6038 3.6359 3.6359 3.7253 3.7253 4.1789 4.1789 4.2536 4.2536 4.2696 4.2696 4.6027 4.6027 4.6303 4.6303 4.7187 4.7187 4.9519 4.9519 4.9932 4.9932 8.5402 8.5402 11.7261 11.7261 12.1881 12.1881 12.4328 12.4328 12.5244 12.5244 12.7268 12.7268 k = 0.0333 0.0577-0.0000 ( 5103 PWs) bands (ev): -19.3294 -19.3294 -14.2036 -14.2036 -12.0512 -12.0512 -11.9925 -11.9925 -11.7952 -11.7952 -10.7559 -10.7559 -10.7345 -10.7345 -5.8897 -5.8897 -4.2391 -4.2391 -3.9350 -3.9350 -3.8693 -3.8693 -0.2599 -0.2599 -0.0343 -0.0343 0.7534 0.7534 0.8620 0.8620 1.0606 1.0606 1.2274 1.2274 3.6153 3.6153 3.6523 3.6523 3.7266 3.7266 4.2058 4.2058 4.2530 4.2530 4.2733 4.2733 4.6100 4.6100 4.6331 4.6331 4.7019 4.7019 4.9515 4.9515 4.9946 4.9946 8.5041 8.5041 11.7434 11.7434 12.1815 12.1815 12.4275 12.4275 12.5180 12.5180 12.7182 12.7182 k = 0.0250 0.0433-0.0000 ( 5107 PWs) bands (ev): -19.3295 -19.3295 -14.2086 -14.2086 -12.0430 -12.0430 -11.9859 -11.9859 -11.7999 -11.7999 -10.7555 -10.7555 -10.7350 -10.7350 -5.8886 -5.8886 -4.2541 -4.2541 -3.9333 -3.9333 -3.8676 -3.8676 -0.2516 -0.2516 -0.0321 -0.0321 0.7480 0.7480 0.8560 0.8560 1.0517 1.0517 1.2170 1.2170 3.6076 3.6076 3.6832 3.6832 3.7278 3.7278 4.2226 4.2226 4.2528 4.2528 4.2800 4.2800 4.6171 4.6171 4.6355 4.6355 4.6861 4.6861 4.9512 4.9512 4.9956 4.9956 8.4755 8.4755 11.7575 11.7575 12.1763 12.1763 12.4227 12.4227 12.5129 12.5129 12.7113 12.7113 k = 0.0167 0.0289-0.0000 ( 5111 PWs) bands (ev): -19.3296 -19.3296 -14.2121 -14.2121 -12.0375 -12.0375 -11.9807 -11.9807 -11.8034 -11.8034 -10.7554 -10.7554 -10.7351 -10.7351 -5.8879 -5.8879 -4.2649 -4.2649 -3.9320 -3.9320 -3.8663 -3.8663 -0.2457 -0.2457 -0.0304 -0.0304 0.7442 0.7442 0.8517 0.8517 1.0447 1.0447 1.2100 1.2100 3.6011 3.6011 3.7072 3.7072 3.7289 3.7289 4.2275 4.2275 4.2569 4.2569 4.2874 4.2874 4.6238 4.6238 4.6379 4.6379 4.6717 4.6717 4.9509 4.9509 4.9964 4.9964 8.4548 8.4548 11.7680 11.7680 12.1725 12.1725 12.4190 12.4190 12.5092 12.5092 12.7063 12.7063 k = 0.0083 0.0144-0.0000 ( 5107 PWs) bands (ev): -19.3297 -19.3297 -14.2143 -14.2143 -12.0343 -12.0343 -11.9775 -11.9775 -11.8055 -11.8055 -10.7554 -10.7554 -10.7352 -10.7352 -5.8875 -5.8875 -4.2714 -4.2714 -3.9312 -3.9312 -3.8655 -3.8655 -0.2421 -0.2421 -0.0293 -0.0293 0.7419 0.7419 0.8491 0.8491 1.0402 1.0402 1.2060 1.2060 3.5971 3.5971 3.7210 3.7210 3.7309 3.7309 4.2271 4.2271 4.2611 4.2611 4.2935 4.2935 4.6291 4.6291 4.6414 4.6414 4.6594 4.6594 4.9508 4.9508 4.9969 4.9969 8.4423 8.4423 11.7744 11.7744 12.1701 12.1701 12.4166 12.4166 12.5070 12.5070 12.7033 12.7033 k = 0.0000 0.0000 0.0000 ( 5075 PWs) bands (ev): -19.3297 -19.3297 -14.2150 -14.2150 -12.0333 -12.0333 -11.9763 -11.9763 -11.8062 -11.8062 -10.7554 -10.7554 -10.7352 -10.7352 -5.8873 -5.8873 -4.2736 -4.2736 -3.9310 -3.9310 -3.8652 -3.8652 -0.2409 -0.2409 -0.0289 -0.0289 0.7411 0.7411 0.8483 0.8483 1.0387 1.0387 1.2047 1.2047 3.5957 3.5957 3.7245 3.7245 3.7329 3.7329 4.2266 4.2266 4.2627 4.2627 4.2959 4.2959 4.6311 4.6311 4.6460 4.6460 4.6516 4.6516 4.9507 4.9507 4.9970 4.9970 8.4381 8.4381 11.7767 11.7767 12.1693 12.1693 12.4158 12.4158 12.5062 12.5062 12.7023 12.7023 k = 0.0000 0.0000 0.0000 ( 5075 PWs) bands (ev): -19.3297 -19.3297 -14.2150 -14.2150 -12.0333 -12.0333 -11.9763 -11.9763 -11.8062 -11.8062 -10.7554 -10.7554 -10.7352 -10.7352 -5.8873 -5.8873 -4.2736 -4.2736 -3.9310 -3.9310 -3.8652 -3.8652 -0.2409 -0.2409 -0.0289 -0.0289 0.7411 0.7411 0.8483 0.8483 1.0387 1.0387 1.2047 1.2047 3.5957 3.5957 3.7245 3.7245 3.7329 3.7329 4.2266 4.2266 4.2627 4.2627 4.2959 4.2959 4.6311 4.6311 4.6460 4.6460 4.6516 4.6516 4.9507 4.9507 4.9970 4.9970 8.4381 8.4381 11.7767 11.7767 12.1693 12.1693 12.4158 12.4158 12.5062 12.5062 12.7023 12.7023 k = 0.0000 0.0000 0.0164 ( 5117 PWs) bands (ev): -19.3297 -19.3297 -14.2151 -14.2151 -12.0333 -12.0333 -11.9764 -11.9764 -11.8060 -11.8060 -10.7554 -10.7554 -10.7351 -10.7351 -5.8876 -5.8876 -4.2735 -4.2735 -3.9314 -3.9314 -3.8659 -3.8659 -0.2394 -0.2394 -0.0290 -0.0290 0.7422 0.7422 0.8496 0.8496 1.0384 1.0384 1.2044 1.2044 3.5963 3.5963 3.7249 3.7249 3.7333 3.7333 4.2262 4.2262 4.2621 4.2621 4.2955 4.2955 4.6314 4.6314 4.6464 4.6464 4.6495 4.6495 4.9491 4.9491 4.9954 4.9954 8.4406 8.4406 11.7776 11.7776 12.1685 12.1685 12.4154 12.4154 12.5055 12.5055 12.6994 12.6994 k = 0.0000 0.0000 0.0329 ( 5129 PWs) bands (ev): -19.3296 -19.3296 -14.2155 -14.2155 -12.0334 -12.0334 -11.9764 -11.9764 -11.8053 -11.8053 -10.7552 -10.7552 -10.7350 -10.7350 -5.8886 -5.8886 -4.2734 -4.2734 -3.9325 -3.9325 -3.8680 -3.8680 -0.2348 -0.2348 -0.0294 -0.0294 0.7456 0.7456 0.8537 0.8537 1.0377 1.0377 1.2037 1.2037 3.5982 3.5982 3.7263 3.7263 3.7346 3.7346 4.2249 4.2249 4.2607 4.2607 4.2944 4.2944 4.6324 4.6324 4.6434 4.6434 4.6476 4.6476 4.9445 4.9445 4.9904 4.9904 8.4481 8.4481 11.7806 11.7806 12.1660 12.1660 12.4143 12.4143 12.5032 12.5032 12.6908 12.6908 k = 0.0000 0.0000 0.0493 ( 5129 PWs) bands (ev): -19.3296 -19.3296 -14.2162 -14.2162 -12.0335 -12.0335 -11.9765 -11.9765 -11.8042 -11.8042 -10.7548 -10.7548 -10.7348 -10.7348 -5.8902 -5.8902 -4.2732 -4.2732 -3.9345 -3.9345 -3.8715 -3.8715 -0.2273 -0.2273 -0.0301 -0.0301 0.7511 0.7511 0.8604 0.8604 1.0366 1.0366 1.2025 1.2025 3.6012 3.6012 3.7285 3.7285 3.7369 3.7369 4.2228 4.2228 4.2582 4.2582 4.2927 4.2927 4.6310 4.6310 4.6364 4.6364 4.6496 4.6496 4.9369 4.9369 4.9823 4.9823 8.4605 8.4605 11.7855 11.7855 12.1619 12.1619 12.4124 12.4124 12.4994 12.4994 12.6770 12.6770 k = 0.0000 0.0000 0.0658 ( 5141 PWs) bands (ev): -19.3295 -19.3295 -14.2171 -14.2171 -12.0336 -12.0336 -11.9765 -11.9765 -11.8026 -11.8026 -10.7544 -10.7544 -10.7344 -10.7344 -5.8924 -5.8924 -4.2728 -4.2728 -3.9372 -3.9372 -3.8763 -3.8763 -0.2168 -0.2168 -0.0310 -0.0310 0.7588 0.7588 0.8697 0.8697 1.0350 1.0350 1.2009 1.2009 3.6055 3.6055 3.7316 3.7316 3.7399 3.7399 4.2198 4.2198 4.2547 4.2547 4.2903 4.2903 4.6177 4.6177 4.6381 4.6381 4.6523 4.6523 4.9263 4.9263 4.9710 4.9710 8.4776 8.4776 11.7923 11.7923 12.1562 12.1562 12.4098 12.4098 12.4939 12.4939 12.6588 12.6588 k = 0.0000 0.0000 0.0822 ( 5135 PWs) bands (ev): -19.3294 -19.3294 -14.2183 -14.2183 -12.0338 -12.0338 -11.9766 -11.9766 -11.8007 -11.8007 -10.7538 -10.7538 -10.7341 -10.7341 -5.8952 -5.8952 -4.2724 -4.2724 -3.9405 -3.9405 -3.8823 -3.8823 -0.2035 -0.2035 -0.0321 -0.0321 0.7685 0.7685 0.8815 0.8815 1.0331 1.0331 1.1990 1.1990 3.6109 3.6109 3.7356 3.7356 3.7438 3.7438 4.2160 4.2160 4.2503 4.2503 4.2872 4.2872 4.5998 4.5998 4.6415 4.6415 4.6557 4.6557 4.9130 4.9130 4.9568 4.9568 8.4991 8.4991 11.8009 11.8009 12.1488 12.1488 12.4065 12.4065 12.4867 12.4867 12.6368 12.6368 k = 0.0000 0.0000 0.0986 ( 5105 PWs) bands (ev): -19.3293 -19.3293 -14.2197 -14.2197 -12.0340 -12.0340 -11.9767 -11.9767 -11.7984 -11.7984 -10.7531 -10.7531 -10.7336 -10.7336 -5.8985 -5.8985 -4.2720 -4.2720 -3.9446 -3.9446 -3.8894 -3.8894 -0.1876 -0.1876 -0.0335 -0.0335 0.7801 0.7801 0.8956 0.8956 1.0308 1.0308 1.1967 1.1967 3.6175 3.6175 3.7403 3.7403 3.7485 3.7485 4.2112 4.2112 4.2449 4.2449 4.2835 4.2835 4.5785 4.5785 4.6456 4.6456 4.6597 4.6597 4.8972 4.8972 4.9397 4.9397 8.5249 8.5249 11.8112 11.8112 12.1397 12.1397 12.4024 12.4024 12.4775 12.4775 12.6123 12.6123 k = 0.0000 0.0000 0.1151 ( 5094 PWs) bands (ev): -19.3291 -19.3291 -14.2213 -14.2213 -12.0342 -12.0342 -11.9769 -11.9769 -11.7957 -11.7957 -10.7522 -10.7522 -10.7330 -10.7330 -5.9023 -5.9023 -4.2714 -4.2714 -3.9492 -3.9492 -3.8975 -3.8975 -0.1693 -0.1693 -0.0351 -0.0351 0.7936 0.7936 0.9119 0.9119 1.0283 1.0283 1.1942 1.1942 3.6252 3.6252 3.7458 3.7458 3.7539 3.7539 4.2056 4.2056 4.2386 4.2386 4.2792 4.2792 4.5542 4.5542 4.6503 4.6503 4.6643 4.6643 4.8790 4.8790 4.9202 4.9202 8.5544 8.5544 11.8232 11.8232 12.1288 12.1288 12.3976 12.3976 12.4660 12.4660 12.5863 12.5863 k = 0.0000 0.0000 0.1315 ( 5094 PWs) bands (ev): -19.3290 -19.3290 -14.2231 -14.2231 -12.0345 -12.0345 -11.9770 -11.9770 -11.7927 -11.7927 -10.7513 -10.7513 -10.7324 -10.7324 -5.9066 -5.9066 -4.2708 -4.2708 -3.9544 -3.9544 -3.9066 -3.9066 -0.1488 -0.1488 -0.0368 -0.0368 0.8087 0.8087 0.9300 0.9300 1.0256 1.0256 1.1916 1.1916 3.6339 3.6339 3.7520 3.7520 3.7599 3.7599 4.1989 4.1989 4.2313 4.2313 4.2743 4.2743 4.5274 4.5274 4.6555 4.6555 4.6693 4.6693 4.8588 4.8588 4.8983 4.8983 8.5874 8.5874 11.8366 11.8366 12.1162 12.1162 12.3921 12.3921 12.4519 12.4519 12.5601 12.5601 k = 0.0000 0.0000 0.1480 ( 5106 PWs) bands (ev): -19.3288 -19.3288 -14.2251 -14.2251 -12.0347 -12.0347 -11.9772 -11.9772 -11.7894 -11.7894 -10.7503 -10.7503 -10.7318 -10.7318 -5.9113 -5.9113 -4.2701 -4.2701 -3.9600 -3.9600 -3.9165 -3.9165 -0.1263 -0.1263 -0.0387 -0.0387 0.8252 0.8252 0.9497 0.9497 1.0228 1.0228 1.1891 1.1891 3.6436 3.6436 3.7587 3.7587 3.7666 3.7666 4.1910 4.1910 4.2231 4.2231 4.2688 4.2688 4.4986 4.4986 4.6610 4.6610 4.6746 4.6746 4.8369 4.8369 4.8744 4.8744 8.6234 8.6234 11.8513 11.8513 12.1018 12.1018 12.3859 12.3859 12.4347 12.4347 12.5348 12.5348 k = 0.0000 0.0000 0.1644 ( 5094 PWs) bands (ev): -19.3286 -19.3286 -14.2272 -14.2272 -12.0350 -12.0350 -11.9773 -11.9773 -11.7859 -11.7859 -10.7493 -10.7493 -10.7310 -10.7310 -5.9163 -5.9163 -4.2694 -4.2694 -3.9660 -3.9660 -3.9270 -3.9270 -0.1021 -0.1021 -0.0407 -0.0407 0.8429 0.8429 0.9708 0.9708 1.0201 1.0201 1.1868 1.1868 3.6543 3.6543 3.7660 3.7660 3.7738 3.7738 4.1819 4.1819 4.2141 4.2141 4.2627 4.2627 4.4683 4.4683 4.6667 4.6667 4.6800 4.6800 4.8136 4.8136 4.8490 4.8490 8.6620 8.6620 11.8673 11.8673 12.0855 12.0855 12.3791 12.3791 12.4142 12.4142 12.5115 12.5115 k = 0.0000 0.0000 0.1809 ( 5100 PWs) bands (ev): -19.3284 -19.3284 -14.2295 -14.2295 -12.0354 -12.0354 -11.9775 -11.9775 -11.7822 -11.7822 -10.7481 -10.7481 -10.7303 -10.7303 -5.9216 -5.9216 -4.2686 -4.2686 -3.9723 -3.9723 -3.9379 -3.9379 -0.0768 -0.0768 -0.0425 -0.0425 0.8614 0.8614 0.9926 0.9926 1.0177 1.0177 1.1850 1.1850 3.6658 3.6658 3.7738 3.7738 3.7814 3.7814 4.1712 4.1712 4.2044 4.2044 4.2561 4.2561 4.4372 4.4372 4.6725 4.6725 4.6852 4.6852 4.7894 4.7894 4.8226 4.8226 8.7027 8.7027 11.8842 11.8842 12.0674 12.0674 12.3717 12.3717 12.3907 12.3907 12.4905 12.4905 k = 0.0000 0.0000 0.1973 ( 5100 PWs) bands (ev): -19.3282 -19.3282 -14.2318 -14.2318 -12.0357 -12.0357 -11.9777 -11.9777 -11.7783 -11.7783 -10.7470 -10.7470 -10.7295 -10.7295 -5.9270 -5.9270 -4.2678 -4.2678 -3.9788 -3.9788 -3.9492 -3.9492 -0.0538 -0.0538 -0.0410 -0.0410 0.8801 0.8801 1.0145 1.0145 1.0159 1.0159 1.1842 1.1842 3.6782 3.6782 3.7819 3.7819 3.7895 3.7895 4.1587 4.1587 4.1942 4.1942 4.2489 4.2489 4.4059 4.4059 4.6777 4.6777 4.6897 4.6897 4.7650 4.7650 4.7960 4.7960 8.7451 8.7451 11.9018 11.9018 12.0473 12.0473 12.3639 12.3639 12.3653 12.3653 12.4717 12.4717 k = 0.0000 0.0000 0.2137 ( 5100 PWs) bands (ev): -19.3280 -19.3280 -14.2341 -14.2341 -12.0360 -12.0360 -11.9779 -11.9779 -11.7744 -11.7744 -10.7457 -10.7457 -10.7287 -10.7287 -5.9327 -5.9327 -4.2670 -4.2670 -3.9855 -3.9855 -3.9608 -3.9608 -0.0499 -0.0499 -0.0195 -0.0195 0.8986 0.8986 1.0152 1.0152 1.0358 1.0358 1.1850 1.1850 3.6912 3.6912 3.7904 3.7904 3.7978 3.7978 4.1440 4.1440 4.1836 4.1836 4.2410 4.2410 4.3749 4.3749 4.6813 4.6813 4.6923 4.6923 4.7419 4.7419 4.7707 4.7707 8.7886 8.7886 11.9201 11.9201 12.0254 12.0254 12.3391 12.3391 12.3556 12.3556 12.4545 12.4545 k = 0.0000 0.0000 0.2302 ( 5106 PWs) bands (ev): -19.3278 -19.3278 -14.2365 -14.2365 -12.0364 -12.0364 -11.9781 -11.9781 -11.7704 -11.7704 -10.7445 -10.7445 -10.7279 -10.7279 -5.9383 -5.9383 -4.2662 -4.2662 -3.9923 -3.9923 -3.9723 -3.9723 -0.0518 -0.0518 0.0081 0.0081 0.9157 0.9157 1.0164 1.0164 1.0553 1.0553 1.1882 1.1882 3.7047 3.7047 3.7991 3.7991 3.8065 3.8065 4.1272 4.1272 4.1728 4.1728 4.2326 4.2326 4.3449 4.3449 4.6798 4.6798 4.6898 4.6898 4.7239 4.7239 4.7503 4.7503 8.8328 8.8328 11.9387 11.9387 12.0017 12.0017 12.3130 12.3130 12.3471 12.3471 12.4385 12.4385 k = 0.0000 0.0000 0.2466 ( 5100 PWs) bands (ev): -19.3276 -19.3276 -14.2389 -14.2389 -12.0367 -12.0367 -11.9783 -11.9783 -11.7664 -11.7664 -10.7433 -10.7433 -10.7271 -10.7271 -5.9440 -5.9440 -4.2653 -4.2653 -3.9990 -3.9990 -3.9838 -3.9838 -0.0542 -0.0542 0.0364 0.0364 0.9301 0.9301 1.0207 1.0207 1.0717 1.0717 1.1949 1.1949 3.7187 3.7187 3.8080 3.8080 3.8153 3.8153 4.1083 4.1083 4.1617 4.1617 4.2236 4.2236 4.3163 4.3163 4.6673 4.6673 4.6774 4.6774 4.7169 4.7169 4.7398 4.7398 8.8772 8.8772 11.9572 11.9572 11.9766 11.9766 12.2879 12.2879 12.3383 12.3383 12.4233 12.4233 k = 0.0000 0.0000 0.2631 ( 5112 PWs) bands (ev): -19.3273 -19.3273 -14.2413 -14.2413 -12.0371 -12.0371 -11.9785 -11.9785 -11.7625 -11.7625 -10.7421 -10.7421 -10.7263 -10.7263 -5.9496 -5.9496 -4.2645 -4.2645 -4.0055 -4.0055 -3.9950 -3.9950 -0.0566 -0.0566 0.0646 0.0646 0.9407 0.9407 1.0289 1.0289 1.0840 1.0840 1.2059 1.2059 3.7329 3.7329 3.8170 3.8170 3.8241 3.8241 4.0876 4.0876 4.1505 4.1505 4.2139 4.2139 4.2893 4.2893 4.6469 4.6469 4.6564 4.6564 4.7185 4.7185 4.7385 4.7385 8.9213 8.9213 11.9497 11.9497 11.9763 11.9763 12.2643 12.2643 12.3295 12.3295 12.4090 12.4090 k = 0.0000 0.0000 0.2795 ( 5130 PWs) bands (ev): -19.3271 -19.3271 -14.2435 -14.2435 -12.0374 -12.0374 -11.9787 -11.9787 -11.7586 -11.7586 -10.7409 -10.7409 -10.7255 -10.7255 -5.9551 -5.9551 -4.2637 -4.2637 -4.0119 -4.0119 -4.0058 -4.0058 -0.0590 -0.0590 0.0924 0.0924 0.9471 0.9471 1.0412 1.0412 1.0919 1.0919 1.2211 1.2211 3.7472 3.7472 3.8260 3.8260 3.8330 3.8330 4.0657 4.0657 4.1391 4.1391 4.2036 4.2036 4.2640 4.2640 4.6244 4.6244 4.6319 4.6319 4.7229 4.7229 4.7413 4.7413 8.9645 8.9645 11.9224 11.9224 11.9944 11.9944 12.2425 12.2425 12.3208 12.3208 12.3953 12.3953 k = 0.0000 0.0000 0.2959 ( 5130 PWs) bands (ev): -19.3269 -19.3269 -14.2457 -14.2457 -12.0377 -12.0377 -11.9789 -11.9789 -11.7550 -11.7550 -10.7398 -10.7398 -10.7248 -10.7248 -5.9603 -5.9603 -4.2630 -4.2630 -4.0181 -4.0181 -4.0162 -4.0162 -0.0614 -0.0614 0.1193 0.1193 0.9500 0.9500 1.0565 1.0565 1.0962 1.0962 1.2393 1.2393 3.7611 3.7611 3.8350 3.8350 3.8419 3.8419 4.0436 4.0436 4.1275 4.1275 4.1927 4.1927 4.2403 4.2403 4.6020 4.6020 4.6072 4.6072 4.7281 4.7281 4.7457 4.7457 9.0063 9.0063 11.8948 11.8948 12.0121 12.0121 12.2226 12.2226 12.3122 12.3122 12.3823 12.3823 k = 0.0000 0.0000 0.3124 ( 5136 PWs) bands (ev): -19.3268 -19.3268 -14.2478 -14.2478 -12.0380 -12.0380 -11.9791 -11.9791 -11.7515 -11.7515 -10.7387 -10.7387 -10.7240 -10.7240 -5.9652 -5.9652 -4.2622 -4.2622 -4.0259 -4.0259 -4.0238 -4.0238 -0.0637 -0.0637 0.1450 0.1450 0.9508 0.9508 1.0734 1.0734 1.0981 1.0981 1.2593 1.2593 3.7744 3.7744 3.8438 3.8438 3.8506 3.8506 4.0221 4.0221 4.1158 4.1158 4.1812 4.1812 4.2181 4.2181 4.5807 4.5807 4.5834 4.5834 4.7334 4.7334 4.7505 4.7505 9.0462 9.0462 11.8674 11.8674 12.0290 12.0290 12.2047 12.2047 12.3040 12.3040 12.3702 12.3702 k = 0.0000 0.0000 0.3288 ( 5130 PWs) bands (ev): -19.3266 -19.3266 -14.2497 -14.2497 -12.0383 -12.0383 -11.9792 -11.9792 -11.7482 -11.7482 -10.7377 -10.7377 -10.7234 -10.7234 -5.9698 -5.9698 -4.2615 -4.2615 -4.0349 -4.0349 -4.0292 -4.0292 -0.0658 -0.0658 0.1691 0.1691 0.9503 0.9503 1.0907 1.0907 1.0984 1.0984 1.2797 1.2797 3.7865 3.7865 3.8525 3.8525 3.8591 3.8591 4.0026 4.0026 4.1041 4.1041 4.1695 4.1695 4.1972 4.1972 4.5611 4.5611 4.5613 4.5613 4.7386 4.7386 4.7553 4.7553 9.0838 9.0838 11.8408 11.8408 12.0448 12.0448 12.1888 12.1888 12.2963 12.2963 12.3590 12.3590 k = 0.0000 0.0000 0.3453 ( 5142 PWs) bands (ev): -19.3264 -19.3264 -14.2515 -14.2515 -12.0385 -12.0385 -11.9794 -11.9794 -11.7453 -11.7453 -10.7368 -10.7368 -10.7228 -10.7228 -5.9740 -5.9740 -4.2609 -4.2609 -4.0431 -4.0431 -4.0341 -4.0341 -0.0678 -0.0678 0.1913 0.1913 0.9491 0.9491 1.0978 1.0978 1.1075 1.1075 1.2995 1.2995 3.7967 3.7967 3.8608 3.8608 3.8673 3.8673 3.9862 3.9862 4.0924 4.0924 4.1575 4.1575 4.1774 4.1774 4.5413 4.5413 4.5433 4.5433 4.7434 4.7434 4.7599 4.7599 9.1184 9.1184 11.8157 11.8157 12.0593 12.0593 12.1748 12.1748 12.2891 12.2891 12.3488 12.3488 k = 0.0000 0.0000 0.3617 ( 5160 PWs) bands (ev): -19.3263 -19.3263 -14.2530 -14.2530 -12.0388 -12.0388 -11.9795 -11.9795 -11.7426 -11.7426 -10.7360 -10.7360 -10.7222 -10.7222 -5.9778 -5.9778 -4.2604 -4.2604 -4.0503 -4.0503 -4.0384 -4.0384 -0.0695 -0.0695 0.2113 0.2113 0.9477 0.9477 1.0968 1.0968 1.1230 1.1230 1.3179 1.3179 3.8041 3.8041 3.8688 3.8688 3.8750 3.8750 3.9744 3.9744 4.0808 4.0808 4.1457 4.1457 4.1587 4.1587 4.5238 4.5238 4.5277 4.5277 4.7478 4.7478 4.7641 4.7641 9.1496 9.1496 11.7925 11.7925 12.0723 12.0723 12.1628 12.1628 12.2826 12.2826 12.3397 12.3397 k = 0.0000 0.0000 0.3782 ( 5136 PWs) bands (ev): -19.3262 -19.3262 -14.2544 -14.2544 -12.0389 -12.0389 -11.9796 -11.9796 -11.7403 -11.7403 -10.7353 -10.7353 -10.7218 -10.7218 -5.9811 -5.9811 -4.2599 -4.2599 -4.0566 -4.0566 -4.0422 -4.0422 -0.0710 -0.0710 0.2287 0.2287 0.9462 0.9462 1.0956 1.0956 1.1370 1.1370 1.3345 1.3345 3.8083 3.8083 3.8761 3.8761 3.8822 3.8822 3.9679 3.9679 4.0696 4.0696 4.1344 4.1344 4.1413 4.1413 4.5090 4.5090 4.5144 4.5144 4.7516 4.7516 4.7678 4.7678 9.1770 9.1770 11.7719 11.7719 12.0837 12.0837 12.1527 12.1527 12.2770 12.2770 12.3318 12.3318 k = 0.0000 0.0000 0.3946 ( 5136 PWs) bands (ev): -19.3260 -19.3260 -14.2555 -14.2555 -12.0391 -12.0391 -11.9797 -11.9797 -11.7384 -11.7384 -10.7347 -10.7347 -10.7214 -10.7214 -5.9838 -5.9838 -4.2595 -4.2595 -4.0618 -4.0618 -4.0453 -4.0453 -0.0723 -0.0723 0.2434 0.2434 0.9449 0.9449 1.0945 1.0945 1.1489 1.1489 1.3487 1.3487 3.8094 3.8094 3.8827 3.8827 3.8886 3.8886 3.9669 3.9669 4.0588 4.0588 4.1241 4.1241 4.1254 4.1254 4.4968 4.4968 4.5034 4.5034 4.7548 4.7548 4.7709 4.7709 9.2000 9.2000 11.7543 11.7543 12.0933 12.0933 12.1444 12.1444 12.2722 12.2722 12.3252 12.3252 k = 0.0000 0.0000 0.4110 ( 5148 PWs) bands (ev): -19.3260 -19.3260 -14.2564 -14.2564 -12.0392 -12.0392 -11.9798 -11.9798 -11.7369 -11.7369 -10.7342 -10.7342 -10.7210 -10.7210 -5.9859 -5.9859 -4.2592 -4.2592 -4.0659 -4.0659 -4.0478 -4.0478 -0.0733 -0.0733 0.2550 0.2550 0.9437 0.9437 1.0935 1.0935 1.1584 1.1584 1.3601 1.3601 3.8083 3.8083 3.8883 3.8883 3.8940 3.8940 3.9704 3.9704 4.0485 4.0485 4.1117 4.1117 4.1153 4.1153 4.4873 4.4873 4.4948 4.4948 4.7573 4.7573 4.7734 4.7734 9.2183 9.2183 11.7402 11.7402 12.1009 12.1009 12.1380 12.1380 12.2684 12.2684 12.3201 12.3201 k = 0.0000 0.0000 0.4275 ( 5160 PWs) bands (ev): -19.3259 -19.3259 -14.2571 -14.2571 -12.0393 -12.0393 -11.9798 -11.9798 -11.7358 -11.7358 -10.7339 -10.7339 -10.7208 -10.7208 -5.9875 -5.9875 -4.2589 -4.2589 -4.0689 -4.0689 -4.0496 -4.0496 -0.0741 -0.0741 0.2635 0.2635 0.9429 0.9429 1.0927 1.0927 1.1654 1.1654 1.3684 1.3684 3.8063 3.8063 3.8925 3.8925 3.8981 3.8981 3.9766 3.9766 4.0391 4.0391 4.1010 4.1010 4.1085 4.1085 4.4806 4.4806 4.4886 4.4886 4.7592 4.7592 4.7752 4.7752 9.2317 9.2317 11.7298 11.7298 12.1063 12.1063 12.1334 12.1334 12.2657 12.2657 12.3163 12.3163 k = 0.0000 0.0000 0.4439 ( 5148 PWs) bands (ev): -19.3259 -19.3259 -14.2575 -14.2575 -12.0394 -12.0394 -11.9799 -11.9799 -11.7351 -11.7351 -10.7337 -10.7337 -10.7207 -10.7207 -5.9884 -5.9884 -4.2588 -4.2588 -4.0707 -4.0707 -4.0507 -4.0507 -0.0745 -0.0745 0.2686 0.2686 0.9423 0.9423 1.0922 1.0922 1.1697 1.1697 1.3735 1.3735 3.8046 3.8046 3.8952 3.8952 3.9007 3.9007 3.9829 3.9829 4.0317 4.0317 4.0940 4.0940 4.1042 4.1042 4.4766 4.4766 4.4849 4.4849 4.7603 4.7603 4.7763 4.7763 9.2398 9.2398 11.7234 11.7234 12.1097 12.1097 12.1307 12.1307 12.2640 12.2640 12.3140 12.3140 k = 0.0000 0.0000 0.4604 ( 5148 PWs) bands (ev): -19.3259 -19.3259 -14.2576 -14.2576 -12.0394 -12.0394 -11.9799 -11.9799 -11.7349 -11.7349 -10.7336 -10.7336 -10.7206 -10.7206 -5.9887 -5.9887 -4.2587 -4.2587 -4.0713 -4.0713 -4.0510 -4.0510 -0.0747 -0.0747 0.2704 0.2704 0.9422 0.9422 1.0921 1.0921 1.1711 1.1711 1.3752 1.3752 3.8039 3.8039 3.8961 3.8961 3.9016 3.9016 3.9858 3.9858 4.0285 4.0285 4.0916 4.0916 4.1028 4.1028 4.4752 4.4752 4.4837 4.4837 4.7607 4.7607 4.7767 4.7767 9.2425 9.2425 11.7213 11.7213 12.1108 12.1108 12.1298 12.1298 12.2634 12.2634 12.3133 12.3133 k = 0.0000 0.0000 0.4604 ( 5148 PWs) bands (ev): -19.3259 -19.3259 -14.2576 -14.2576 -12.0394 -12.0394 -11.9799 -11.9799 -11.7349 -11.7349 -10.7336 -10.7336 -10.7206 -10.7206 -5.9887 -5.9887 -4.2587 -4.2587 -4.0713 -4.0713 -4.0510 -4.0510 -0.0747 -0.0747 0.2704 0.2704 0.9422 0.9422 1.0921 1.0921 1.1711 1.1711 1.3752 1.3752 3.8039 3.8039 3.8961 3.8961 3.9016 3.9016 3.9858 3.9858 4.0285 4.0285 4.0916 4.0916 4.1028 4.1028 4.4752 4.4752 4.4837 4.4837 4.7607 4.7607 4.7767 4.7767 9.2425 9.2425 11.7213 11.7213 12.1108 12.1108 12.1298 12.1298 12.2634 12.2634 12.3133 12.3133 k = 0.0143 0.0082 0.4604 ( 5152 PWs) bands (ev): -19.3258 -19.3258 -14.2568 -14.2568 -12.0404 -12.0404 -11.9809 -11.9809 -11.7342 -11.7342 -10.7337 -10.7337 -10.7208 -10.7208 -5.9886 -5.9886 -4.2577 -4.2577 -4.0708 -4.0708 -4.0500 -4.0500 -0.0754 -0.0754 0.2674 0.2674 0.9441 0.9441 1.0937 1.0937 1.1711 1.1711 1.3747 1.3747 3.7970 3.7970 3.8920 3.8920 3.8986 3.8986 3.9856 3.9856 4.0364 4.0364 4.0957 4.0957 4.1046 4.1046 4.4741 4.4741 4.4827 4.4827 4.7610 4.7610 4.7769 4.7769 9.2449 9.2449 11.7224 11.7224 12.1103 12.1103 12.1319 12.1319 12.2631 12.2631 12.3134 12.3134 k = 0.0286 0.0165 0.4604 ( 5156 PWs) bands (ev): -19.3258 -19.3258 -14.2546 -14.2546 -12.0434 -12.0434 -11.9840 -11.9840 -11.7322 -11.7322 -10.7342 -10.7342 -10.7213 -10.7213 -5.9883 -5.9883 -4.2545 -4.2545 -4.0695 -4.0695 -4.0466 -4.0466 -0.0775 -0.0775 0.2587 0.2587 0.9498 0.9498 1.0987 1.0987 1.1711 1.1711 1.3730 1.3730 3.7756 3.7756 3.8832 3.8832 3.8931 3.8931 3.9854 3.9854 4.0523 4.0523 4.1045 4.1045 4.1143 4.1143 4.4706 4.4706 4.4799 4.4799 4.7621 4.7621 4.7778 4.7778 9.2518 9.2518 11.7255 11.7255 12.1088 12.1088 12.1383 12.1383 12.2621 12.2621 12.3138 12.3138 k = 0.0429 0.0247 0.4604 ( 5156 PWs) bands (ev): -19.3258 -19.3258 -14.2507 -14.2507 -12.0485 -12.0485 -11.9889 -11.9889 -11.7290 -11.7290 -10.7352 -10.7352 -10.7220 -10.7220 -5.9878 -5.9878 -4.2494 -4.2494 -4.0675 -4.0675 -4.0406 -4.0406 -0.0809 -0.0809 0.2444 0.2444 0.9587 0.9587 1.1066 1.1066 1.1718 1.1718 1.3702 1.3702 3.7407 3.7407 3.8761 3.8761 3.8866 3.8866 3.9856 3.9856 4.0660 4.0660 4.1113 4.1113 4.1387 4.1387 4.4653 4.4653 4.4758 4.4758 4.7636 4.7636 4.7791 4.7791 9.2634 9.2634 11.7308 11.7308 12.1064 12.1064 12.1485 12.1485 12.2606 12.2606 12.3149 12.3149 k = 0.0571 0.0330 0.4604 ( 5150 PWs) bands (ev): -19.3257 -19.3257 -14.2454 -14.2454 -12.0561 -12.0561 -11.9952 -11.9952 -11.7245 -11.7245 -10.7367 -10.7367 -10.7227 -10.7227 -5.9871 -5.9871 -4.2427 -4.2427 -4.0652 -4.0652 -4.0313 -4.0313 -0.0854 -0.0854 0.2247 0.2247 0.9702 0.9702 1.1165 1.1165 1.1741 1.1741 1.3667 1.3667 3.6967 3.6967 3.8682 3.8682 3.8827 3.8827 3.9869 3.9869 4.0757 4.0757 4.1183 4.1183 4.1710 4.1710 4.4588 4.4588 4.4708 4.4708 4.7655 4.7655 4.7808 4.7808 9.2795 9.2795 11.7381 11.7381 12.1029 12.1029 12.1619 12.1619 12.2585 12.2585 12.3172 12.3172 k = 0.0714 0.0412 0.4604 ( 5146 PWs) bands (ev): -19.3256 -19.3256 -14.2385 -14.2385 -12.0664 -12.0664 -12.0024 -12.0024 -11.7189 -11.7189 -10.7390 -10.7390 -10.7233 -10.7233 -5.9862 -5.9862 -4.2348 -4.2348 -4.0627 -4.0627 -4.0186 -4.0186 -0.0905 -0.0905 0.1999 0.1999 0.9833 0.9833 1.1258 1.1258 1.1806 1.1806 1.3626 1.3626 3.6469 3.6469 3.8568 3.8568 3.8833 3.8833 3.9891 3.9891 4.0829 4.0829 4.1246 4.1246 4.2063 4.2063 4.4524 4.4524 4.4654 4.4654 4.7676 4.7676 4.7826 4.7826 9.2998 9.2998 11.7473 11.7473 12.0983 12.0983 12.1773 12.1773 12.2563 12.2563 12.3217 12.3217 k = 0.0857 0.0495 0.4604 ( 5144 PWs) bands (ev): -19.3255 -19.3255 -14.2302 -14.2302 -12.0797 -12.0797 -12.0102 -12.0102 -11.7124 -11.7124 -10.7422 -10.7422 -10.7238 -10.7238 -5.9851 -5.9851 -4.2260 -4.2260 -4.0598 -4.0598 -4.0020 -4.0020 -0.0961 -0.0961 0.1704 0.1704 0.9971 0.9971 1.1315 1.1315 1.1949 1.1949 1.3582 1.3582 3.5934 3.5934 3.8434 3.8434 3.8864 3.8864 3.9924 3.9924 4.0886 4.0886 4.1286 4.1286 4.2426 4.2426 4.4472 4.4472 4.4605 4.4605 4.7696 4.7696 4.7844 4.7844 9.3243 9.3243 11.7584 11.7584 12.0926 12.0926 12.1924 12.1924 12.2548 12.2548 12.3299 12.3299 k = 0.1000 0.0577 0.4604 ( 5140 PWs) bands (ev): -19.3253 -19.3253 -14.2203 -14.2203 -12.0961 -12.0961 -12.0180 -12.0180 -11.7049 -11.7049 -10.7462 -10.7462 -10.7240 -10.7240 -5.9839 -5.9839 -4.2169 -4.2169 -4.0566 -4.0566 -3.9814 -3.9814 -0.1017 -0.1017 0.1364 0.1364 1.0104 1.0104 1.1326 1.1326 1.2176 1.2176 1.3539 1.3539 3.5372 3.5372 3.8287 3.8287 3.8910 3.8910 3.9964 3.9964 4.0932 4.0932 4.1288 4.1288 4.2786 4.2786 4.4433 4.4433 4.4578 4.4578 4.7714 4.7714 4.7861 4.7861 9.3526 9.3526 11.7714 11.7714 12.0858 12.0858 12.2037 12.2037 12.2556 12.2556 12.3438 12.3438 k = 0.1143 0.0660 0.4604 ( 5140 PWs) bands (ev): -19.3252 -19.3252 -14.2090 -14.2090 -12.1157 -12.1157 -12.0257 -12.0257 -11.6967 -11.6967 -10.7510 -10.7510 -10.7240 -10.7240 -5.9824 -5.9824 -4.2077 -4.2077 -4.0530 -4.0530 -3.9566 -3.9566 -0.1071 -0.1071 0.0983 0.0983 1.0223 1.0223 1.1308 1.1308 1.2473 1.2473 1.3503 1.3503 3.4791 3.4791 3.8131 3.8131 3.8964 3.8964 4.0009 4.0009 4.0964 4.0964 4.1249 4.1249 4.3140 4.3140 4.4394 4.4394 4.4601 4.4601 4.7729 4.7729 4.7874 4.7874 9.3845 9.3845 11.7860 11.7860 12.0777 12.0777 12.2082 12.2082 12.2595 12.2595 12.3654 12.3654 k = 0.1286 0.0742 0.4604 ( 5136 PWs) bands (ev): -19.3250 -19.3250 -14.1962 -14.1962 -12.1384 -12.1384 -12.0331 -12.0331 -11.6878 -11.6878 -10.7565 -10.7565 -10.7240 -10.7240 -5.9808 -5.9808 -4.1988 -4.1988 -4.0490 -4.0490 -3.9275 -3.9275 -0.1120 -0.1120 0.0565 0.0565 1.0319 1.0319 1.1280 1.1280 1.2817 1.2817 1.3479 1.3479 3.4194 3.4194 3.7968 3.7968 3.9024 3.9024 4.0051 4.0051 4.0969 4.0969 4.1184 4.1184 4.3481 4.3481 4.4354 4.4354 4.4684 4.4684 4.7741 4.7741 4.7883 4.7883 9.4198 9.4198 11.8022 11.8022 12.0684 12.0684 12.2068 12.2068 12.2653 12.2653 12.3953 12.3953 k = 0.1429 0.0825 0.4604 ( 5128 PWs) bands (ev): -19.3248 -19.3248 -14.1820 -14.1820 -12.1638 -12.1638 -12.0404 -12.0404 -11.6783 -11.6783 -10.7627 -10.7627 -10.7239 -10.7239 -5.9790 -5.9790 -4.1904 -4.1904 -4.0446 -4.0446 -3.8942 -3.8942 -0.1162 -0.1162 0.0115 0.0115 1.0378 1.0378 1.1258 1.1258 1.3173 1.3173 1.3497 1.3497 3.3587 3.3587 3.7795 3.7795 3.9085 3.9085 4.0075 4.0075 4.0926 4.0926 4.1136 4.1136 4.3801 4.3801 4.4329 4.4329 4.4820 4.4820 4.7750 4.7750 4.7888 4.7888 9.4582 9.4582 11.8199 11.8199 12.0577 12.0577 12.2019 12.2019 12.2714 12.2714 12.4326 12.4326 k = 0.1571 0.0907 0.4604 ( 5136 PWs) bands (ev): -19.3246 -19.3246 -14.1664 -14.1664 -12.1918 -12.1918 -12.0475 -12.0475 -11.6684 -11.6684 -10.7695 -10.7695 -10.7238 -10.7238 -5.9770 -5.9770 -4.1824 -4.1824 -4.0396 -4.0396 -3.8568 -3.8568 -0.1202 -0.1202 -0.0360 -0.0360 1.0390 1.0390 1.1255 1.1255 1.3358 1.3358 1.3730 1.3730 3.2973 3.2973 3.7613 3.7613 3.9145 3.9145 4.0052 4.0052 4.0856 4.0856 4.1119 4.1119 4.4058 4.4058 4.4366 4.4366 4.4995 4.4995 4.7755 4.7755 4.7889 4.7889 9.4992 9.4992 11.8390 11.8390 12.0456 12.0456 12.1954 12.1954 12.2772 12.2772 12.4759 12.4759 k = 0.1714 0.0990 0.4604 ( 5144 PWs) bands (ev): -19.3244 -19.3244 -14.1493 -14.1493 -12.2222 -12.2222 -12.0544 -12.0544 -11.6580 -11.6580 -10.7768 -10.7768 -10.7237 -10.7237 -5.9749 -5.9749 -4.1751 -4.1751 -4.0342 -4.0342 -3.8154 -3.8154 -0.1267 -0.1267 -0.0824 -0.0824 1.0349 1.0349 1.1279 1.1279 1.3392 1.3392 1.4153 1.4153 3.2357 3.2357 3.7418 3.7418 3.9200 3.9200 3.9952 3.9952 4.0827 4.0827 4.1110 4.1110 4.4155 4.4155 4.4564 4.4564 4.5200 4.5200 4.7756 4.7756 4.7887 4.7887 9.5428 9.5428 11.8591 11.8591 12.0320 12.0320 12.1884 12.1884 12.2830 12.2830 12.5240 12.5240 k = 0.1857 0.1072 0.4604 ( 5148 PWs) bands (ev): -19.3241 -19.3241 -14.1309 -14.1309 -12.2546 -12.2546 -12.0611 -12.0611 -11.6474 -11.6474 -10.7847 -10.7847 -10.7237 -10.7237 -5.9727 -5.9727 -4.1684 -4.1684 -4.0283 -4.0283 -3.7705 -3.7705 -0.1556 -0.1556 -0.1078 -0.1078 1.0262 1.0262 1.1326 1.1326 1.3417 1.3417 1.4615 1.4615 3.1744 3.1744 3.7208 3.7208 3.9245 3.9245 3.9775 3.9775 4.0864 4.0864 4.1099 4.1099 4.4173 4.4173 4.4842 4.4842 4.5422 4.5422 4.7754 4.7754 4.7883 4.7883 9.5884 9.5884 11.8801 11.8801 12.0170 12.0170 12.1815 12.1815 12.2893 12.2893 12.5759 12.5759 k = 0.2000 0.1155 0.4604 ( 5152 PWs) bands (ev): -19.3239 -19.3239 -14.1112 -14.1112 -12.2889 -12.2889 -12.0676 -12.0676 -11.6365 -11.6365 -10.7929 -10.7929 -10.7237 -10.7237 -5.9704 -5.9704 -4.1622 -4.1622 -4.0219 -4.0219 -3.7221 -3.7221 -0.2080 -0.2080 -0.1106 -0.1106 1.0140 1.0140 1.1387 1.1387 1.3451 1.3451 1.5092 1.5092 3.1138 3.1138 3.6980 3.6980 3.9275 3.9275 3.9554 3.9554 4.0950 4.0950 4.1086 4.1086 4.4185 4.4185 4.5128 4.5128 4.5652 4.5652 4.7750 4.7750 4.7880 4.7880 9.6358 9.6358 11.9016 11.9016 12.0004 12.0004 12.1756 12.1756 12.2962 12.2962 12.6307 12.6307 k = 0.2143 0.1237 0.4604 ( 5152 PWs) bands (ev): -19.3236 -19.3236 -14.0902 -14.0902 -12.3248 -12.3248 -12.0739 -12.0739 -11.6254 -11.6254 -10.8016 -10.8016 -10.7238 -10.7238 -5.9680 -5.9680 -4.1566 -4.1566 -4.0152 -4.0152 -3.6706 -3.6706 -0.2662 -0.2662 -0.1080 -0.1080 0.9994 0.9994 1.1456 1.1456 1.3496 1.3496 1.5570 1.5570 3.0547 3.0547 3.6732 3.6732 3.9256 3.9256 3.9343 3.9343 4.1056 4.1056 4.1084 4.1084 4.4202 4.4202 4.5408 4.5408 4.5879 4.5879 4.7745 4.7745 4.7881 4.7881 9.6848 9.6848 11.9229 11.9229 11.9822 11.9822 12.1713 12.1713 12.3039 12.3039 12.6877 12.6877 k = 0.2286 0.1320 0.4604 ( 5144 PWs) bands (ev): -19.3234 -19.3234 -14.0680 -14.0680 -12.3623 -12.3623 -12.0800 -12.0800 -11.6142 -11.6142 -10.8106 -10.8106 -10.7240 -10.7240 -5.9656 -5.9656 -4.1515 -4.1515 -4.0081 -4.0081 -3.6163 -3.6163 -0.3273 -0.3273 -0.1028 -0.1028 0.9831 0.9831 1.1526 1.1526 1.3553 1.3553 1.6041 1.6041 2.9976 2.9976 3.6462 3.6462 3.9051 3.9051 3.9294 3.9294 4.1062 4.1062 4.1209 4.1209 4.4225 4.4225 4.5678 4.5678 4.6094 4.6094 4.7738 4.7738 4.7893 4.7893 9.7350 9.7350 11.9431 11.9431 11.9626 11.9626 12.1697 12.1697 12.3127 12.3127 12.7462 12.7462 k = 0.2429 0.1402 0.4604 ( 5146 PWs) bands (ev): -19.3231 -19.3231 -14.0446 -14.0446 -12.4010 -12.4010 -12.0858 -12.0858 -11.6029 -11.6029 -10.8199 -10.8199 -10.7242 -10.7242 -5.9631 -5.9631 -4.1468 -4.1468 -4.0007 -4.0007 -3.5594 -3.5594 -0.3905 -0.3905 -0.0955 -0.0955 0.9658 0.9658 1.1597 1.1597 1.3620 1.3620 1.6494 1.6494 2.9437 2.9437 3.6170 3.6170 3.8822 3.8822 3.9253 3.9253 4.1065 4.1065 4.1362 4.1362 4.4252 4.4252 4.5935 4.5935 4.6285 4.6285 4.7729 4.7729 4.7925 4.7925 9.7861 9.7861 11.9407 11.9407 11.9618 11.9618 12.1719 12.1719 12.3226 12.3226 12.8056 12.8056 k = 0.2571 0.1485 0.4604 ( 5154 PWs) bands (ev): -19.3229 -19.3229 -14.0201 -14.0201 -12.4407 -12.4407 -12.0914 -12.0914 -11.5916 -11.5916 -10.8294 -10.8294 -10.7245 -10.7245 -5.9606 -5.9606 -4.1425 -4.1425 -3.9931 -3.9931 -3.5003 -3.5003 -0.4555 -0.4555 -0.0862 -0.0862 0.9479 0.9479 1.1665 1.1665 1.3695 1.3695 1.6918 1.6918 2.8937 2.8937 3.5858 3.5858 3.8605 3.8605 3.9183 3.9183 4.1080 4.1080 4.1528 4.1528 4.4280 4.4280 4.6176 4.6176 4.6443 4.6443 4.7720 4.7720 4.7987 4.7987 9.8378 9.8378 11.9178 11.9178 11.9766 11.9766 12.1794 12.1794 12.3336 12.3336 12.8652 12.8652 k = 0.2714 0.1567 0.4604 ( 5164 PWs) bands (ev): -19.3226 -19.3226 -13.9945 -13.9945 -12.4814 -12.4814 -12.0967 -12.0967 -11.5804 -11.5804 -10.8390 -10.8390 -10.7248 -10.7248 -5.9581 -5.9581 -4.1386 -4.1386 -3.9853 -3.9853 -3.4392 -3.4392 -0.5218 -0.5218 -0.0750 -0.0750 0.9297 0.9297 1.1732 1.1732 1.3777 1.3777 1.7300 1.7300 2.8491 2.8491 3.5531 3.5531 3.8406 3.8406 3.9085 3.9085 4.1109 4.1109 4.1704 4.1704 4.4308 4.4308 4.6385 4.6385 4.6575 4.6575 4.7709 4.7709 4.8085 4.8085 9.8899 9.8899 11.8933 11.8933 11.9873 11.9873 12.1932 12.1932 12.3459 12.3459 12.9242 12.9242 k = 0.2857 0.1650 0.4604 ( 5164 PWs) bands (ev): -19.3224 -19.3224 -13.9679 -13.9679 -12.5227 -12.5227 -12.1018 -12.1018 -11.5693 -11.5693 -10.8487 -10.8487 -10.7253 -10.7253 -5.9556 -5.9556 -4.1351 -4.1351 -3.9775 -3.9775 -3.3764 -3.3764 -0.5894 -0.5894 -0.0622 -0.0622 0.9117 0.9117 1.1797 1.1797 1.3863 1.3863 1.7628 1.7628 2.8109 2.8109 3.5191 3.5191 3.8225 3.8225 3.8958 3.8958 4.1150 4.1150 4.1888 4.1888 4.4333 4.4333 4.6515 4.6515 4.6725 4.6725 4.7700 4.7700 4.8218 4.8218 9.9420 9.9420 11.8672 11.8672 11.9935 11.9935 12.2133 12.2133 12.3594 12.3594 12.9820 12.9820 k = 0.3000 0.1732 0.4604 ( 5168 PWs) bands (ev): -19.3221 -19.3221 -13.9405 -13.9405 -12.5645 -12.5645 -12.1066 -12.1066 -11.5584 -11.5584 -10.8584 -10.8584 -10.7257 -10.7257 -5.9531 -5.9531 -4.1319 -4.1319 -3.9696 -3.9696 -3.3124 -3.3124 -0.6577 -0.6577 -0.0477 -0.0477 0.8939 0.8939 1.1859 1.1859 1.3953 1.3953 1.7887 1.7887 2.7807 2.7807 3.4846 3.4846 3.8061 3.8061 3.8807 3.8807 4.1202 4.1202 4.2078 4.2078 4.4355 4.4355 4.6550 4.6550 4.6909 4.6909 4.7694 4.7694 4.8380 4.8380 9.9940 9.9940 11.8398 11.8398 11.9959 11.9959 12.2391 12.2391 12.3742 12.3742 13.0377 13.0377 k = 0.3143 0.1815 0.4604 ( 5160 PWs) bands (ev): -19.3219 -19.3219 -13.9124 -13.9124 -12.6064 -12.6064 -12.1111 -12.1111 -11.5478 -11.5478 -10.8681 -10.8681 -10.7262 -10.7262 -5.9508 -5.9508 -4.1289 -4.1289 -3.9619 -3.9619 -3.2473 -3.2473 -0.7266 -0.7266 -0.0319 -0.0319 0.8768 0.8768 1.1919 1.1919 1.4043 1.4043 1.8067 1.8067 2.7594 2.7594 3.4501 3.4501 3.7913 3.7913 3.8635 3.8635 4.1259 4.1259 4.2274 4.2274 4.4371 4.4371 4.6534 4.6534 4.7092 4.7092 4.7696 4.7696 4.8559 4.8559 10.0456 10.0456 11.8112 11.8112 11.9954 11.9954 12.2695 12.2695 12.3905 12.3905 13.0903 13.0903 k = 0.3286 0.1897 0.4604 ( 5170 PWs) bands (ev): -19.3217 -19.3217 -13.8836 -13.8836 -12.6484 -12.6484 -12.1153 -12.1153 -11.5374 -11.5374 -10.8776 -10.8776 -10.7267 -10.7267 -5.9485 -5.9485 -4.1263 -4.1263 -3.9544 -3.9544 -3.1817 -3.1817 -0.7956 -0.7956 -0.0150 -0.0150 0.8604 0.8604 1.1977 1.1977 1.4133 1.4133 1.8160 1.8160 2.7478 2.7478 3.4161 3.4161 3.7779 3.7779 3.8445 3.8445 4.1321 4.1321 4.2473 4.2473 4.4383 4.4383 4.6485 4.6485 4.7252 4.7252 4.7712 4.7712 4.8746 4.8746 10.0963 10.0963 11.7816 11.7816 11.9930 11.9930 12.3031 12.3031 12.4083 12.4083 13.1389 13.1389 k = 0.3429 0.1979 0.4604 ( 5174 PWs) bands (ev): -19.3215 -19.3215 -13.8544 -13.8544 -12.6901 -12.6901 -12.1191 -12.1191 -11.5275 -11.5275 -10.8868 -10.8868 -10.7272 -10.7272 -5.9463 -5.9463 -4.1239 -4.1239 -3.9471 -3.9471 -3.1160 -3.1160 -0.8644 -0.8644 0.0029 0.0029 0.8449 0.8449 1.2033 1.2033 1.4221 1.4221 1.8167 1.8167 2.7460 2.7460 3.3830 3.3830 3.7658 3.7658 3.8241 3.8241 4.1383 4.1383 4.2676 4.2676 4.4391 4.4391 4.6413 4.6413 4.7374 4.7374 4.7757 4.7757 4.8934 4.8934 10.1460 10.1460 11.7513 11.7513 11.9895 11.9895 12.3384 12.3384 12.4285 12.4285 13.1821 13.1821 k = 0.3571 0.2062 0.4604 ( 5172 PWs) bands (ev): -19.3212 -19.3212 -13.8249 -13.8249 -12.7312 -12.7312 -12.1227 -12.1227 -11.5180 -11.5180 -10.8957 -10.8957 -10.7278 -10.7278 -5.9442 -5.9442 -4.1217 -4.1217 -3.9402 -3.9402 -3.0506 -3.0506 -0.9324 -0.9324 0.0213 0.0213 0.8306 0.8306 1.2085 1.2085 1.4306 1.4306 1.8095 1.8095 2.7532 2.7532 3.3514 3.3514 3.7549 3.7549 3.8027 3.8027 4.1444 4.1444 4.2880 4.2880 4.4394 4.4394 4.6324 4.6324 4.7446 4.7446 4.7842 4.7842 4.9116 4.9116 10.1942 10.1942 11.7205 11.7205 11.9854 11.9854 12.3732 12.3732 12.4521 12.4521 13.2182 13.2182 k = 0.3714 0.2144 0.4604 ( 5166 PWs) bands (ev): -19.3211 -19.3211 -13.7955 -13.7955 -12.7714 -12.7714 -12.1259 -12.1259 -11.5091 -11.5091 -10.9042 -10.9042 -10.7283 -10.7283 -5.9423 -5.9423 -4.1198 -4.1198 -3.9337 -3.9337 -2.9862 -2.9862 -0.9992 -0.9992 0.0400 0.0400 0.8174 0.8174 1.2135 1.2135 1.4387 1.4387 1.7958 1.7958 2.7680 2.7680 3.3215 3.3215 3.7450 3.7450 3.7805 3.7805 4.1502 4.1502 4.3084 4.3084 4.4395 4.4395 4.6220 4.6220 4.7478 4.7478 4.7953 4.7953 4.9288 4.9288 10.2406 10.2406 11.6898 11.6898 11.9810 11.9810 12.4048 12.4048 12.4814 12.4814 13.2453 13.2453 k = 0.3857 0.2227 0.4604 ( 5168 PWs) bands (ev): -19.3209 -19.3209 -13.7665 -13.7665 -12.8103 -12.8103 -12.1288 -12.1288 -11.5007 -11.5007 -10.9121 -10.9121 -10.7288 -10.7288 -5.9406 -5.9406 -4.1180 -4.1180 -3.9277 -3.9277 -2.9234 -2.9234 -1.0640 -1.0640 0.0585 0.0585 0.8056 0.8056 1.2182 1.2182 1.4462 1.4462 1.7772 1.7772 2.7888 2.7888 3.2939 3.2939 3.7359 3.7359 3.7582 3.7582 4.1555 4.1555 4.3288 4.3288 4.4394 4.4394 4.6105 4.6105 4.7490 4.7490 4.8071 4.8071 4.9448 4.9448 10.2848 10.2848 11.6594 11.6594 11.9767 11.9767 12.4311 12.4311 12.5175 12.5175 13.2610 13.2610 k = 0.4000 0.2309 0.4604 ( 5168 PWs) bands (ev): -19.3207 -19.3207 -13.7382 -13.7382 -12.8474 -12.8474 -12.1314 -12.1314 -11.4931 -11.4931 -10.9195 -10.9195 -10.7293 -10.7293 -5.9390 -5.9390 -4.1166 -4.1166 -3.9222 -3.9222 -2.8631 -2.8631 -1.1260 -1.1260 0.0764 0.0764 0.7951 0.7951 1.2224 1.2224 1.4530 1.4530 1.7558 1.7558 2.8134 2.8134 3.2688 3.2688 3.7262 3.7262 3.7375 3.7375 4.1602 4.1602 4.3491 4.3491 4.4392 4.4392 4.5981 4.5981 4.7492 4.7492 4.8184 4.8184 4.9593 4.9593 10.3262 10.3262 11.6301 11.6301 11.9726 11.9726 12.4524 12.4524 12.5596 12.5596 13.2629 13.2629 k = 0.4143 0.2392 0.4604 ( 5176 PWs) bands (ev): -19.3206 -19.3206 -13.7112 -13.7112 -12.8822 -12.8822 -12.1336 -12.1336 -11.4863 -11.4863 -10.9261 -10.9261 -10.7297 -10.7297 -5.9376 -5.9376 -4.1153 -4.1153 -3.9173 -3.9173 -2.8063 -2.8063 -1.1843 -1.1843 0.0932 0.0932 0.7861 0.7861 1.2261 1.2261 1.4592 1.4592 1.7332 1.7332 2.8401 2.8401 3.2465 3.2465 3.7098 3.7098 3.7250 3.7250 4.1643 4.1643 4.3690 4.3690 4.4392 4.4392 4.5847 4.5847 4.7491 4.7491 4.8287 4.8287 4.9721 4.9721 10.3642 10.3642 11.6023 11.6023 11.9689 11.9689 12.4700 12.4700 12.6057 12.6057 13.2504 13.2504 k = 0.4286 0.2474 0.4604 ( 5174 PWs) bands (ev): -19.3205 -19.3205 -13.6861 -13.6861 -12.9139 -12.9139 -12.1355 -12.1355 -11.4804 -11.4804 -10.9318 -10.9318 -10.7301 -10.7301 -5.9364 -5.9364 -4.1142 -4.1142 -3.9131 -3.9131 -2.7541 -2.7541 -1.2376 -1.2376 0.1085 0.1085 0.7785 0.7785 1.2294 1.2294 1.4645 1.4645 1.7113 1.7113 2.8668 2.8668 3.2271 3.2271 3.6898 3.6898 3.7184 3.7184 4.1677 4.1677 4.3882 4.3882 4.4394 4.4394 4.5706 4.5706 4.7488 4.7488 4.8376 4.8376 4.9832 4.9832 10.3982 10.3982 11.5768 11.5768 11.9656 11.9656 12.4846 12.4846 12.6540 12.6540 13.2250 13.2250 k = 0.4429 0.2557 0.4604 ( 5166 PWs) bands (ev): -19.3204 -19.3204 -13.6636 -13.6636 -12.9419 -12.9419 -12.1370 -12.1370 -11.4754 -11.4754 -10.9367 -10.9367 -10.7304 -10.7304 -5.9354 -5.9354 -4.1133 -4.1133 -3.9096 -3.9096 -2.7081 -2.7081 -1.2845 -1.2845 0.1218 0.1218 0.7724 0.7724 1.2321 1.2321 1.4690 1.4690 1.6912 1.6912 2.8918 2.8918 3.2111 3.2111 3.6709 3.6709 3.7135 3.7135 4.1704 4.1704 4.4063 4.4063 4.4407 4.4407 4.5558 4.5558 4.7484 4.7484 4.8451 4.8451 4.9924 4.9924 10.4275 10.4275 11.5545 11.5545 11.9628 11.9628 12.4966 12.4966 12.7031 12.7031 13.1903 13.1903 k = 0.4571 0.2639 0.4604 ( 5162 PWs) bands (ev): -19.3203 -19.3203 -13.6447 -13.6447 -12.9651 -12.9651 -12.1382 -12.1382 -11.4714 -11.4714 -10.9406 -10.9406 -10.7306 -10.7306 -5.9346 -5.9346 -4.1126 -4.1126 -3.9069 -3.9069 -2.6698 -2.6698 -1.3236 -1.3236 0.1327 0.1327 0.7677 0.7677 1.2342 1.2342 1.4726 1.4726 1.6744 1.6744 2.9134 2.9134 3.1984 3.1984 3.6547 3.6547 3.7098 3.7098 4.1725 4.1725 4.4210 4.4210 4.4448 4.4448 4.5404 4.5404 4.7481 4.7481 4.8509 4.8509 4.9996 4.9996 10.4513 10.4513 11.5360 11.5360 11.9606 11.9606 12.5061 12.5061 12.7512 12.7512 13.1507 13.1507 k = 0.4714 0.2722 0.4604 ( 5160 PWs) bands (ev): -19.3202 -19.3202 -13.6303 -13.6303 -12.9827 -12.9827 -12.1391 -12.1391 -11.4686 -11.4686 -10.9434 -10.9434 -10.7308 -10.7308 -5.9340 -5.9340 -4.1121 -4.1121 -3.9049 -3.9049 -2.6409 -2.6409 -1.3530 -1.3530 0.1408 0.1408 0.7645 0.7645 1.2357 1.2357 1.4752 1.4752 1.6616 1.6616 2.9302 2.9302 3.1893 3.1893 3.6422 3.6422 3.7072 3.7072 4.1740 4.1740 4.4287 4.4287 4.4553 4.4553 4.5247 4.5247 4.7478 4.7478 4.8552 4.8552 5.0048 5.0048 10.4690 10.4690 11.5221 11.5221 11.9590 11.9590 12.5130 12.5130 12.7955 12.7955 13.1112 13.1112 k = 0.4857 0.2804 0.4604 ( 5156 PWs) bands (ev): -19.3202 -19.3202 -13.6212 -13.6212 -12.9936 -12.9936 -12.1396 -12.1396 -11.4668 -11.4668 -10.9451 -10.9451 -10.7309 -10.7309 -5.9337 -5.9337 -4.1118 -4.1118 -3.9037 -3.9037 -2.6228 -2.6228 -1.3714 -1.3714 0.1457 0.1457 0.7625 0.7625 1.2367 1.2367 1.4768 1.4768 1.6537 1.6537 2.9408 2.9408 3.1837 3.1837 3.6343 3.6343 3.7056 3.7056 4.1749 4.1749 4.4311 4.4311 4.4697 4.4697 4.5094 4.5094 4.7476 4.7476 4.8577 4.8577 5.0079 5.0079 10.4798 10.4798 11.5135 11.5135 11.9581 11.9581 12.5172 12.5172 12.8299 12.8299 13.0792 13.0792 k = 0.5000 0.2887 0.4604 ( 5164 PWs) bands (ev): -19.3202 -19.3202 -13.6181 -13.6181 -12.9974 -12.9974 -12.1398 -12.1398 -11.4662 -11.4662 -10.9457 -10.9457 -10.7310 -10.7310 -5.9336 -5.9336 -4.1117 -4.1117 -3.9033 -3.9033 -2.6166 -2.6166 -1.3777 -1.3777 0.1474 0.1474 0.7619 0.7619 1.2370 1.2370 1.4773 1.4773 1.6510 1.6510 2.9445 2.9445 3.1819 3.1819 3.6315 3.6315 3.7051 3.7051 4.1752 4.1752 4.4316 4.4316 4.4794 4.4794 4.4997 4.4997 4.7475 4.7475 4.8586 4.8586 5.0090 5.0090 10.4835 10.4835 11.5106 11.5106 11.9577 11.9577 12.5186 12.5186 12.8438 12.8438 13.0660 13.0660 k = 0.5000 0.2887 0.4604 ( 5164 PWs) bands (ev): -19.3202 -19.3202 -13.6181 -13.6181 -12.9974 -12.9974 -12.1398 -12.1398 -11.4662 -11.4662 -10.9457 -10.9457 -10.7310 -10.7310 -5.9336 -5.9336 -4.1117 -4.1117 -3.9033 -3.9033 -2.6166 -2.6166 -1.3777 -1.3777 0.1474 0.1474 0.7619 0.7619 1.2370 1.2370 1.4773 1.4773 1.6510 1.6510 2.9445 2.9445 3.1819 3.1819 3.6315 3.6315 3.7051 3.7051 4.1752 4.1752 4.4316 4.4316 4.4794 4.4794 4.4997 4.4997 4.7475 4.7475 4.8586 4.8586 5.0090 5.0090 10.4835 10.4835 11.5106 11.5106 11.9577 11.9577 12.5186 12.5186 12.8438 12.8438 13.0660 13.0660 k = 0.4917 0.3031 0.4604 ( 5160 PWs) bands (ev): -19.3202 -19.3202 -13.6173 -13.6173 -12.9980 -12.9980 -12.1403 -12.1403 -11.4657 -11.4657 -10.9480 -10.9480 -10.7292 -10.7292 -5.9335 -5.9335 -4.1112 -4.1112 -3.9034 -3.9034 -2.6154 -2.6154 -1.3797 -1.3797 0.1486 0.1486 0.7606 0.7606 1.2392 1.2392 1.4759 1.4759 1.6529 1.6529 2.9389 2.9389 3.1784 3.1784 3.6350 3.6350 3.7087 3.7087 4.1760 4.1760 4.4293 4.4293 4.4790 4.4790 4.5021 4.5021 4.7467 4.7467 4.8588 4.8588 5.0094 5.0094 10.4849 10.4849 11.5090 11.5090 11.9596 11.9596 12.5170 12.5170 12.8434 12.8434 13.0639 13.0639 k = 0.4833 0.3175 0.4604 ( 5172 PWs) bands (ev): -19.3202 -19.3202 -13.6148 -13.6148 -13.0000 -13.0000 -12.1419 -12.1419 -11.4641 -11.4641 -10.9545 -10.9545 -10.7240 -10.7240 -5.9332 -5.9332 -4.1096 -4.1096 -3.9039 -3.9039 -2.6114 -2.6114 -1.3856 -1.3856 0.1522 0.1522 0.7568 0.7568 1.2457 1.2457 1.4719 1.4719 1.6582 1.6582 2.9225 2.9225 3.1682 3.1682 3.6452 3.6452 3.7191 3.7191 4.1784 4.1784 4.4225 4.4225 4.4792 4.4792 4.5078 4.5078 4.7441 4.7441 4.8595 4.8595 5.0107 5.0107 10.4891 10.4891 11.5042 11.5042 11.9649 11.9649 12.5121 12.5121 12.8424 12.8424 13.0575 13.0575 k = 0.4750 0.3320 0.4604 ( 5168 PWs) bands (ev): -19.3201 -19.3201 -13.6106 -13.6106 -13.0033 -13.0033 -12.1444 -12.1444 -11.4615 -11.4615 -10.9646 -10.9646 -10.7160 -10.7160 -5.9328 -5.9328 -4.1069 -4.1069 -3.9048 -3.9048 -2.6049 -2.6049 -1.3955 -1.3955 0.1582 0.1582 0.7507 0.7507 1.2561 1.2561 1.4659 1.4659 1.6667 1.6667 2.8962 2.8962 3.1523 3.1523 3.6610 3.6610 3.7355 3.7355 4.1824 4.1824 4.4122 4.4122 4.4814 4.4814 4.5146 4.5146 4.7399 4.7399 4.8605 4.8605 5.0128 5.0128 10.4961 10.4961 11.4963 11.4963 11.9738 11.9738 12.5043 12.5043 12.8406 12.8406 13.0471 13.0471 k = 0.4667 0.3464 0.4604 ( 5176 PWs) bands (ev): -19.3201 -19.3201 -13.6049 -13.6049 -13.0079 -13.0079 -12.1479 -12.1479 -11.4578 -11.4578 -10.9776 -10.9776 -10.7060 -10.7060 -5.9321 -5.9321 -4.1032 -4.1032 -3.9059 -3.9059 -2.5957 -2.5957 -1.4093 -1.4093 0.1664 0.1664 0.7428 0.7428 1.2697 1.2697 1.4586 1.4586 1.6778 1.6778 2.8615 2.8615 3.1319 3.1319 3.6814 3.6814 3.7565 3.7565 4.1878 4.1878 4.3994 4.3994 4.4857 4.4857 4.5215 4.5215 4.7342 4.7342 4.8617 4.8617 5.0155 5.0155 10.5059 10.5059 11.4854 11.4854 11.9859 11.9859 12.4940 12.4940 12.8381 12.8381 13.0330 13.0330 k = 0.4583 0.3608 0.4604 ( 5170 PWs) bands (ev): -19.3201 -19.3201 -13.5974 -13.5974 -13.0140 -13.0140 -12.1521 -12.1521 -11.4531 -11.4531 -10.9928 -10.9928 -10.6948 -10.6948 -5.9314 -5.9314 -4.0986 -4.0986 -3.9074 -3.9074 -2.5839 -2.5839 -1.4268 -1.4268 0.1769 0.1769 0.7332 0.7332 1.2857 1.2857 1.4511 1.4511 1.6911 1.6911 2.8197 2.8197 3.1081 3.1081 3.7053 3.7053 3.7809 3.7809 4.1944 4.1944 4.3848 4.3848 4.4919 4.4919 4.5280 4.5280 4.7273 4.7273 4.8627 4.8627 5.0188 5.0188 10.5184 10.5184 11.4718 11.4718 12.0010 12.0010 12.4816 12.4816 12.8349 12.8349 13.0156 13.0156 k = 0.4500 0.3753 0.4604 ( 5166 PWs) bands (ev): -19.3200 -19.3200 -13.5884 -13.5884 -13.0215 -13.0215 -12.1571 -12.1571 -11.4474 -11.4474 -11.0095 -11.0095 -10.6830 -10.6830 -5.9305 -5.9305 -4.0932 -4.0932 -3.9092 -3.9092 -2.5692 -2.5692 -1.4481 -1.4481 0.1895 0.1895 0.7223 0.7223 1.3026 1.3026 1.4446 1.4446 1.7062 1.7062 2.7721 2.7721 3.0821 3.0821 3.7316 3.7316 3.8075 3.8075 4.2019 4.2019 4.3690 4.3690 4.4997 4.4997 4.5343 4.5343 4.7192 4.7192 4.8634 4.8634 5.0224 5.0224 10.5338 10.5338 11.4555 11.4555 12.0190 12.0190 12.4679 12.4679 12.8308 12.8308 12.9954 12.9954 k = 0.4417 0.3897 0.4604 ( 5160 PWs) bands (ev): -19.3200 -19.3200 -13.5777 -13.5777 -13.0306 -13.0306 -12.1627 -12.1627 -11.4407 -11.4407 -11.0273 -11.0273 -10.6710 -10.6710 -5.9295 -5.9295 -4.0870 -4.0870 -3.9112 -3.9112 -2.5518 -2.5518 -1.4728 -1.4728 0.2041 0.2041 0.7105 0.7105 1.3185 1.3185 1.4410 1.4410 1.7227 1.7227 2.7200 2.7200 3.0546 3.0546 3.7597 3.7597 3.8352 3.8352 4.2101 4.2101 4.3524 4.3524 4.5086 4.5086 4.5405 4.5405 4.7103 4.7103 4.8635 4.8635 5.0264 5.0264 10.5518 10.5518 11.4368 11.4368 12.0394 12.0394 12.4533 12.4533 12.8259 12.8259 12.9729 12.9729 k = 0.4333 0.4041 0.4604 ( 5156 PWs) bands (ev): -19.3200 -19.3200 -13.5654 -13.5654 -13.0412 -13.0412 -12.1686 -12.1686 -11.4330 -11.4330 -11.0458 -11.0458 -10.6591 -10.6591 -5.9284 -5.9284 -4.0802 -4.0802 -3.9135 -3.9135 -2.5314 -2.5314 -1.5010 -1.5010 0.2205 0.2205 0.6980 0.6980 1.3304 1.3304 1.4432 1.4432 1.7406 1.7406 2.6644 2.6644 3.0264 3.0264 3.7887 3.7887 3.8633 3.8633 4.2186 4.2186 4.3353 4.3353 4.5180 4.5180 4.5472 4.5472 4.7006 4.7006 4.8628 4.8628 5.0304 5.0304 10.5726 10.5726 11.4156 11.4156 12.0622 12.0622 12.4387 12.4387 12.8200 12.8200 12.9486 12.9486 k = 0.4250 0.4186 0.4604 ( 5164 PWs) bands (ev): -19.3199 -19.3199 -13.5516 -13.5516 -13.0534 -13.0534 -12.1748 -12.1748 -11.4243 -11.4243 -11.0648 -11.0648 -10.6477 -10.6477 -5.9272 -5.9272 -4.0730 -4.0730 -3.9161 -3.9161 -2.5082 -2.5082 -1.5324 -1.5324 0.2386 0.2386 0.6848 0.6848 1.3359 1.3359 1.4532 1.4532 1.7598 1.7598 2.6062 2.6062 2.9980 2.9980 3.8184 3.8184 3.8910 3.8910 4.2273 4.2273 4.3179 4.3179 4.5267 4.5267 4.5556 4.5556 4.6904 4.6904 4.8609 4.8609 5.0344 5.0344 10.5959 10.5959 11.3921 11.3921 12.0870 12.0870 12.4246 12.4246 12.8131 12.8131 12.9232 12.9232 k = 0.4167 0.4330 0.4604 ( 5164 PWs) bands (ev): -19.3199 -19.3199 -13.5361 -13.5361 -13.0673 -13.0673 -12.1810 -12.1810 -11.4146 -11.4146 -11.0841 -11.0841 -10.6370 -10.6370 -5.9261 -5.9261 -4.0653 -4.0653 -3.9189 -3.9189 -2.4819 -2.4819 -1.5670 -1.5670 0.2581 0.2581 0.6713 0.6713 1.3350 1.3350 1.4710 1.4710 1.7799 1.7799 2.5461 2.5461 2.9701 2.9701 3.8483 3.8483 3.9178 3.9178 4.2357 4.2357 4.3004 4.3004 4.5337 4.5337 4.5666 4.5666 4.6799 4.6799 4.8577 4.8577 5.0384 5.0384 10.6219 10.6219 11.3664 11.3664 12.1135 12.1135 12.4115 12.4115 12.8049 12.8049 12.8974 12.8974 k = 0.4083 0.4474 0.4604 ( 5164 PWs) bands (ev): -19.3198 -19.3198 -13.5191 -13.5191 -13.0829 -13.0829 -12.1872 -12.1872 -11.4041 -11.4041 -11.1036 -11.1036 -10.6270 -10.6270 -5.9249 -5.9249 -4.0575 -4.0575 -3.9218 -3.9218 -2.4525 -2.4525 -1.6044 -1.6044 0.2789 0.2789 0.6573 0.6573 1.3299 1.3299 1.4942 1.4942 1.8011 1.8011 2.4849 2.4849 2.9430 2.9430 3.8781 3.8781 3.9433 3.9433 4.2431 4.2431 4.2834 4.2834 4.5388 4.5388 4.5803 4.5803 4.6694 4.6694 4.8530 4.8530 5.0421 5.0421 10.6503 10.6503 11.3385 11.3385 12.1414 12.1414 12.4000 12.4000 12.7952 12.7952 12.8720 12.8720 k = 0.4000 0.4619 0.4604 ( 5164 PWs) bands (ev): -19.3197 -19.3197 -13.5005 -13.5005 -13.1002 -13.1002 -12.1931 -12.1931 -11.3926 -11.3926 -11.1231 -11.1231 -10.6179 -10.6179 -5.9238 -5.9238 -4.0497 -4.0497 -3.9248 -3.9248 -2.4201 -2.4201 -1.6447 -1.6447 0.3007 0.3007 0.6429 0.6429 1.3227 1.3227 1.5205 1.5205 1.8231 1.8231 2.4233 2.4233 2.9171 2.9171 3.9076 3.9076 3.9671 3.9671 4.2471 4.2471 4.2692 4.2692 4.5426 4.5426 4.5958 4.5958 4.6592 4.6592 4.8468 4.8468 5.0456 5.0456 10.6812 10.6812 11.3084 11.3084 12.1703 12.1703 12.3904 12.3904 12.7836 12.7836 12.8482 12.8482 k = 0.3917 0.4763 0.4604 ( 5160 PWs) bands (ev): -19.3197 -19.3197 -13.4805 -13.4805 -13.1193 -13.1193 -12.1986 -12.1986 -11.3803 -11.3803 -11.1425 -11.1425 -10.6098 -10.6098 -5.9227 -5.9227 -4.0421 -4.0421 -3.9279 -3.9279 -2.3845 -2.3845 -1.6876 -1.6876 0.3232 0.3232 0.6281 0.6281 1.3147 1.3147 1.5483 1.5483 1.8459 1.8459 2.3619 2.3619 2.8928 2.8928 3.9365 3.9365 3.9889 3.9889 4.2395 4.2395 4.2660 4.2660 4.5458 4.5458 4.6112 4.6112 4.6505 4.6505 4.8390 4.8390 5.0488 5.0488 10.7143 10.7143 11.2763 11.2763 12.1996 12.1996 12.3829 12.3829 12.7697 12.7697 12.8273 12.8273 k = 0.3833 0.4907 0.4604 ( 5160 PWs) bands (ev): -19.3196 -19.3196 -13.4589 -13.4589 -13.1401 -13.1401 -12.2035 -12.2035 -11.3672 -11.3672 -11.1618 -11.1618 -10.6028 -10.6028 -5.9217 -5.9217 -4.0348 -4.0348 -3.9310 -3.9310 -2.3458 -2.3458 -1.7330 -1.7330 0.3462 0.3462 0.6129 0.6129 1.3068 1.3068 1.5765 1.5765 1.8692 1.8692 2.3015 2.3015 2.8705 2.8705 3.9647 3.9647 4.0084 4.0084 4.2236 4.2236 4.2702 4.2702 4.5488 4.5488 4.6213 4.6213 4.6481 4.6481 4.8296 4.8296 5.0516 5.0516 10.7497 10.7497 11.2421 11.2421 12.2285 12.2285 12.3778 12.3778 12.7534 12.7534 12.8103 12.8103 k = 0.3750 0.5052 0.4604 ( 5148 PWs) bands (ev): -19.3196 -19.3196 -13.4359 -13.4359 -13.1626 -13.1626 -12.2079 -12.2079 -11.3532 -11.3532 -11.1810 -11.1810 -10.5969 -10.5969 -5.9208 -5.9208 -4.0281 -4.0281 -3.9339 -3.9339 -2.3040 -2.3040 -1.7807 -1.7807 0.3693 0.3693 0.5973 0.5973 1.2996 1.2996 1.6042 1.6042 1.8930 1.8930 2.2430 2.2430 2.8505 2.8505 3.9920 3.9920 4.0254 4.0254 4.2060 4.2060 4.2751 4.2751 4.5519 4.5519 4.6188 4.6188 4.6592 4.6592 4.8187 4.8187 5.0540 5.0540 10.7870 10.7870 11.2060 11.2060 12.2561 12.2561 12.3750 12.3750 12.7358 12.7358 12.7973 12.7973 k = 0.3667 0.5196 0.4604 ( 5148 PWs) bands (ev): -19.3196 -19.3196 -13.4115 -13.4115 -13.1867 -13.1867 -12.2115 -12.2115 -11.3385 -11.3385 -11.1999 -11.1999 -10.5921 -10.5921 -5.9200 -5.9200 -4.0222 -4.0222 -3.9366 -3.9366 -2.2590 -2.2590 -1.8306 -1.8306 0.3921 0.3921 0.5813 0.5813 1.2933 1.2933 1.6304 1.6304 1.9170 1.9170 2.1873 2.1873 2.8333 2.8333 4.0180 4.0180 4.0398 4.0398 4.1879 4.1879 4.2795 4.2795 4.5554 4.5554 4.6110 4.6110 4.6760 4.6760 4.8065 4.8065 5.0560 5.0560 10.8263 10.8263 11.1679 11.1679 12.2810 12.2810 12.3745 12.3745 12.7188 12.7188 12.7880 12.7880 k = 0.3583 0.5340 0.4604 ( 5138 PWs) bands (ev): -19.3195 -19.3195 -13.3857 -13.3857 -13.2124 -13.2124 -12.2144 -12.2144 -11.3231 -11.3231 -11.2186 -11.2186 -10.5883 -10.5883 -5.9194 -5.9194 -4.0173 -4.0173 -3.9389 -3.9389 -2.2110 -2.2110 -1.8825 -1.8825 0.4140 0.4140 0.5653 0.5653 1.2882 1.2882 1.6539 1.6539 1.9408 1.9408 2.1358 2.1358 2.8193 2.8193 4.0421 4.0421 4.0519 4.0519 4.1695 4.1695 4.2830 4.2830 4.5592 4.5592 4.6026 4.6026 4.6936 4.6936 4.7934 4.7934 5.0576 5.0576 10.8672 10.8672 11.1281 11.1281 12.3017 12.3017 12.3759 12.3759 12.7044 12.7044 12.7819 12.7819 k = 0.3500 0.5485 0.4604 ( 5134 PWs) bands (ev): -19.3195 -19.3195 -13.3588 -13.3588 -13.2394 -13.2394 -12.2165 -12.2165 -11.3070 -11.3070 -11.2369 -11.2369 -10.5857 -10.5857 -5.9190 -5.9190 -4.0136 -4.0136 -3.9406 -3.9406 -2.1599 -2.1599 -1.9363 -1.9363 0.4340 0.4340 0.5498 0.5498 1.2845 1.2845 1.6732 1.6732 1.9639 1.9639 2.0906 2.0906 2.8088 2.8088 4.0580 4.0580 4.0677 4.0677 4.1508 4.1508 4.2854 4.2854 4.5635 4.5635 4.5948 4.5948 4.7106 4.7106 4.7798 4.7798 5.0588 5.0588 10.9096 10.9096 11.0865 11.0865 12.3168 12.3168 12.3787 12.3787 12.6940 12.6940 12.7784 12.7784 k = 0.3417 0.5629 0.4604 ( 5132 PWs) bands (ev): -19.3195 -19.3195 -13.3311 -13.3311 -13.2671 -13.2671 -12.2177 -12.2177 -11.2903 -11.2903 -11.2550 -11.2550 -10.5842 -10.5842 -5.9187 -5.9187 -4.0114 -4.0114 -3.9416 -3.9416 -2.1060 -2.1060 -1.9919 -1.9919 0.4498 0.4498 0.5369 0.5369 1.2823 1.2823 1.6864 1.6864 1.9841 1.9841 2.0555 2.0555 2.8022 2.8022 4.0643 4.0643 4.0875 4.0875 4.1326 4.1326 4.2869 4.2869 4.5676 4.5676 4.5885 4.5885 4.7254 4.7254 4.7671 4.7671 5.0595 5.0595 10.9532 10.9532 11.0435 11.0435 12.3254 12.3254 12.3816 12.3816 12.6886 12.6886 12.7766 12.7766 k = 0.3333 0.5774 0.4604 ( 5136 PWs) bands (ev): -19.3195 -19.3195 -13.3103 -13.3103 -13.2880 -13.2880 -12.2181 -12.2181 -11.2745 -11.2745 -11.2712 -11.2712 -10.5837 -10.5837 -5.9186 -5.9186 -4.0106 -4.0106 -3.9419 -3.9419 -2.0511 -2.0511 -2.0474 -2.0474 0.4563 0.4563 0.5313 0.5313 1.2815 1.2815 1.6912 1.6912 1.9936 1.9936 2.0406 2.0406 2.8000 2.8000 4.0666 4.0666 4.0994 4.0994 4.1212 4.1212 4.2874 4.2874 4.5697 4.5697 4.5857 4.5857 4.7328 4.7328 4.7603 4.7603 5.0598 5.0598 10.9932 10.9932 11.0037 11.0037 12.3281 12.3281 12.3829 12.3829 12.6875 12.6875 12.7758 12.7758 k = 0.3333 0.5774 0.4604 ( 5136 PWs) bands (ev): -19.3195 -19.3195 -13.3103 -13.3103 -13.2880 -13.2880 -12.2181 -12.2181 -11.2745 -11.2745 -11.2712 -11.2712 -10.5837 -10.5837 -5.9186 -5.9186 -4.0106 -4.0106 -3.9419 -3.9419 -2.0511 -2.0511 -2.0474 -2.0474 0.4563 0.4563 0.5313 0.5313 1.2815 1.2815 1.6912 1.6912 1.9936 1.9936 2.0406 2.0406 2.8000 2.8000 4.0666 4.0666 4.0994 4.0994 4.1212 4.1212 4.2874 4.2874 4.5697 4.5697 4.5857 4.5857 4.7328 4.7328 4.7603 4.7603 5.0598 5.0598 10.9932 10.9932 11.0037 11.0037 12.3281 12.3281 12.3829 12.3829 12.6875 12.6875 12.7758 12.7758 k = 0.3250 0.5629 0.4604 ( 5140 PWs) bands (ev): -19.3195 -19.3195 -13.3322 -13.3322 -13.2660 -13.2660 -12.2177 -12.2177 -11.2904 -11.2904 -11.2549 -11.2549 -10.5841 -10.5841 -5.9187 -5.9187 -4.0113 -4.0113 -3.9416 -3.9416 -2.1081 -2.1081 -1.9898 -1.9898 0.4496 0.4496 0.5370 0.5370 1.2822 1.2822 1.6861 1.6861 1.9884 1.9884 2.0514 2.0514 2.8023 2.8023 4.0629 4.0629 4.0902 4.0902 4.1313 4.1313 4.2870 4.2870 4.5677 4.5677 4.5883 4.5883 4.7260 4.7260 4.7665 4.7665 5.0595 5.0595 10.9521 10.9521 11.0446 11.0446 12.3258 12.3258 12.3813 12.3813 12.6868 12.6868 12.7779 12.7779 k = 0.3167 0.5485 0.4604 ( 5136 PWs) bands (ev): -19.3195 -19.3195 -13.3634 -13.3634 -13.2345 -13.2345 -12.2166 -12.2166 -11.3074 -11.3074 -11.2366 -11.2366 -10.5856 -10.5856 -5.9190 -5.9190 -4.0133 -4.0133 -3.9409 -3.9409 -2.1684 -2.1684 -1.9279 -1.9279 0.4330 0.4330 0.5505 0.5505 1.2842 1.2842 1.6713 1.6713 1.9848 1.9848 2.0714 2.0714 2.8095 2.8095 4.0486 4.0486 4.0822 4.0822 4.1456 4.1456 4.2858 4.2858 4.5640 4.5640 4.5938 4.5938 4.7138 4.7138 4.7772 4.7772 5.0587 5.0587 10.9050 10.9050 11.0910 11.0910 12.3194 12.3194 12.3769 12.3769 12.6806 12.6806 12.7882 12.7882 k = 0.3083 0.5340 0.4604 ( 5132 PWs) bands (ev): -19.3195 -19.3195 -13.3960 -13.3960 -13.2013 -13.2013 -12.2146 -12.2146 -11.3242 -11.3242 -11.2178 -11.2178 -10.5879 -10.5879 -5.9195 -5.9195 -4.0163 -4.0163 -3.9401 -3.9401 -2.2300 -2.2300 -1.8637 -1.8637 0.4112 0.4112 0.5669 0.5669 1.2872 1.2872 1.6491 1.6491 1.9877 1.9877 2.0932 2.0932 2.8217 2.8217 4.0261 4.0261 4.0786 4.0786 4.1581 4.1581 4.2840 4.2840 4.5603 4.5603 4.5997 4.5997 4.7018 4.7018 4.7874 4.7874 5.0573 5.0573 10.8566 10.8566 11.1380 11.1380 12.3100 12.3100 12.3700 12.3700 12.6655 12.6655 12.8106 12.8106 k = 0.3000 0.5196 0.4604 ( 5144 PWs) bands (ev): -19.3196 -19.3196 -13.4295 -13.4295 -13.1668 -13.1668 -12.2120 -12.2120 -11.3406 -11.3406 -11.1986 -11.1986 -10.5910 -10.5910 -5.9202 -5.9202 -4.0202 -4.0202 -3.9393 -3.9393 -2.2929 -2.2929 -1.7973 -1.7973 0.3864 0.3864 0.5843 0.5843 1.2909 1.2909 1.6225 1.6225 1.9955 1.9955 2.1157 2.1157 2.8390 2.8390 4.0001 4.0001 4.0761 4.0761 4.1679 4.1679 4.2820 4.2820 4.5573 4.5573 4.6044 4.6044 4.6917 4.6917 4.7961 4.7961 5.0552 5.0552 10.8073 10.8073 11.1853 11.1853 12.2982 12.2982 12.3616 12.3616 12.6431 12.6431 12.8440 12.8440 k = 0.2917 0.5052 0.4604 ( 5152 PWs) bands (ev): -19.3196 -19.3196 -13.4637 -13.4637 -13.1312 -13.1312 -12.2087 -12.2087 -11.3567 -11.3567 -11.1791 -11.1791 -10.5949 -10.5949 -5.9211 -5.9211 -4.0247 -4.0247 -3.9387 -3.9387 -2.3569 -2.3569 -1.7289 -1.7289 0.3596 0.3596 0.6018 0.6018 1.2950 1.2950 1.5941 1.5941 2.0056 2.0056 2.1387 2.1387 2.8612 2.8612 3.9719 3.9719 4.0739 4.0739 4.1745 4.1745 4.2800 4.2800 4.5550 4.5550 4.6065 4.6065 4.6854 4.6854 4.8029 4.8029 5.0522 5.0522 10.7572 10.7572 11.2327 11.2327 12.2850 12.2850 12.3522 12.3522 12.6160 12.6160 12.8859 12.8859 k = 0.2833 0.4907 0.4604 ( 5152 PWs) bands (ev): -19.3197 -19.3197 -13.4983 -13.4983 -13.0945 -13.0945 -12.2049 -12.2049 -11.3724 -11.3724 -11.1594 -11.1594 -10.5994 -10.5994 -5.9222 -5.9222 -4.0296 -4.0296 -3.9385 -3.9385 -2.4220 -2.4220 -1.6588 -1.6588 0.3314 0.3314 0.6191 0.6191 1.2991 1.2991 1.5656 1.5656 2.0164 2.0164 2.1624 2.1624 2.8881 2.8881 3.9424 3.9424 4.0719 4.0719 4.1779 4.1779 4.2781 4.2781 4.5534 4.5534 4.6047 4.6047 4.6838 4.6838 4.8077 4.8077 5.0484 5.0484 10.7062 10.7062 11.2801 11.2801 12.2711 12.2711 12.3425 12.3425 12.5861 12.5861 12.9347 12.9347 k = 0.2750 0.4763 0.4604 ( 5158 PWs) bands (ev): -19.3198 -19.3198 -13.5333 -13.5333 -13.0569 -13.0569 -12.2005 -12.2005 -11.3878 -11.3878 -11.1394 -11.1394 -10.6046 -10.6046 -5.9235 -5.9235 -4.0350 -4.0350 -3.9387 -3.9387 -2.4879 -2.4879 -1.5871 -1.5871 0.3020 0.3020 0.6363 0.6363 1.3028 1.3028 1.5382 1.5382 2.0262 2.0262 2.1873 2.1873 2.9195 2.9195 3.9121 3.9121 4.0703 4.0703 4.1780 4.1780 4.2764 4.2764 4.5522 4.5522 4.5994 4.5994 4.6868 4.6868 4.8106 4.8106 5.0435 5.0435 10.6547 10.6547 11.3272 11.3272 12.2569 12.2569 12.3327 12.3327 12.5542 12.5542 12.9888 12.9888 k = 0.2667 0.4619 0.4604 ( 5154 PWs) bands (ev): -19.3199 -19.3199 -13.5684 -13.5684 -13.0185 -13.0185 -12.1956 -12.1956 -11.4029 -11.4029 -11.1193 -11.1193 -10.6102 -10.6102 -5.9250 -5.9250 -4.0406 -4.0406 -3.9395 -3.9395 -2.5547 -2.5547 -1.5141 -1.5141 0.2718 0.2718 0.6534 0.6534 1.3058 1.3058 1.5125 1.5125 2.0341 2.0341 2.2138 2.2138 2.9550 2.9550 3.8815 3.8815 4.0692 4.0692 4.1751 4.1751 4.2747 4.2747 4.5511 4.5511 4.5920 4.5920 4.6932 4.6932 4.8114 4.8114 5.0374 5.0374 10.6026 10.6026 11.3740 11.3740 12.2429 12.2429 12.3232 12.3232 12.5211 12.5211 13.0471 13.0471 k = 0.2583 0.4474 0.4604 ( 5154 PWs) bands (ev): -19.3200 -19.3200 -13.6035 -13.6035 -12.9793 -12.9793 -12.1903 -12.1903 -11.4176 -11.4176 -11.0992 -11.0992 -10.6162 -10.6162 -5.9267 -5.9267 -4.0465 -4.0465 -3.9409 -3.9409 -2.6222 -2.6222 -1.4400 -1.4400 0.2411 0.2411 0.6705 0.6705 1.3077 1.3077 1.4888 1.4888 2.0392 2.0392 2.2422 2.2422 2.9942 2.9942 3.8513 3.8513 4.0687 4.0687 4.1696 4.1696 4.2726 4.2726 4.5494 4.5494 4.5844 4.5844 4.7014 4.7014 4.8102 4.8102 5.0300 5.0300 10.5501 10.5501 11.4201 11.4201 12.2294 12.2294 12.3140 12.3140 12.4872 12.4872 13.1079 13.1079 k = 0.2500 0.4330 0.4604 ( 5158 PWs) bands (ev): -19.3202 -19.3202 -13.6385 -13.6385 -12.9393 -12.9393 -12.1847 -12.1847 -11.4320 -11.4320 -11.0790 -11.0790 -10.6226 -10.6226 -5.9286 -5.9286 -4.0524 -4.0524 -3.9429 -3.9429 -2.6902 -2.6902 -1.3649 -1.3649 0.2102 0.2102 0.6877 0.6877 1.3082 1.3082 1.4673 1.4673 2.0409 2.0409 2.2731 2.2731 3.0366 3.0366 3.8219 3.8219 4.0691 4.0691 4.1621 4.1621 4.2698 4.2698 4.5460 4.5460 4.5782 4.5782 4.7106 4.7106 4.8071 4.8071 5.0211 5.0211 10.4971 10.4971 11.4655 11.4655 12.2167 12.2167 12.3052 12.3052 12.4531 12.4531 13.1677 13.1677 k = 0.2417 0.4186 0.4604 ( 5154 PWs) bands (ev): -19.3203 -19.3203 -13.6733 -13.6733 -12.8987 -12.8987 -12.1787 -12.1787 -11.4462 -11.4462 -11.0589 -11.0589 -10.6292 -10.6292 -5.9306 -5.9306 -4.0586 -4.0586 -3.9454 -3.9454 -2.7586 -2.7586 -1.2893 -1.2893 0.1794 0.1794 0.7051 0.7051 1.3073 1.3073 1.4481 1.4481 2.0387 2.0387 2.3066 2.3066 3.0820 3.0820 3.7941 3.7941 4.0702 4.0702 4.1529 4.1529 4.2660 4.2660 4.5401 4.5401 4.5749 4.5749 4.7202 4.7202 4.8021 4.8021 5.0107 5.0107 10.4438 10.4438 11.5100 11.5100 12.2049 12.2049 12.2964 12.2964 12.4193 12.4193 13.2180 13.2180 k = 0.2333 0.4041 0.4604 ( 5160 PWs) bands (ev): -19.3205 -19.3205 -13.7078 -13.7078 -12.8576 -12.8576 -12.1725 -12.1725 -11.4601 -11.4601 -11.0389 -11.0389 -10.6360 -10.6360 -5.9328 -5.9328 -4.0648 -4.0648 -3.9485 -3.9485 -2.8273 -2.8273 -1.2131 -1.2131 0.1491 0.1491 0.7229 0.7229 1.3048 1.3048 1.4309 1.4309 2.0320 2.0320 2.3430 2.3430 3.1297 3.1297 3.7684 3.7684 4.0722 4.0722 4.1425 4.1425 4.2610 4.2610 4.5319 4.5319 4.5742 4.5742 4.7297 4.7297 4.7954 4.7954 4.9987 4.9987 10.3902 10.3902 11.5534 11.5534 12.1940 12.1940 12.2872 12.2872 12.3865 12.3865 13.2478 13.2478 k = 0.2250 0.3897 0.4604 ( 5152 PWs) bands (ev): -19.3207 -19.3207 -13.7418 -13.7418 -12.8161 -12.8161 -12.1660 -12.1660 -11.4737 -11.4737 -11.0190 -11.0190 -10.6429 -10.6429 -5.9351 -5.9351 -4.0710 -4.0710 -3.9521 -3.9521 -2.8962 -2.8962 -1.1367 -1.1367 0.1195 0.1195 0.7410 0.7410 1.3008 1.3008 1.4155 1.4155 2.0208 2.0208 2.3823 2.3823 3.1795 3.1795 3.7452 3.7452 4.0751 4.0751 4.1311 4.1311 4.2548 4.2548 4.5224 4.5224 4.5752 4.5752 4.7390 4.7390 4.7869 4.7869 4.9850 4.9850 10.3364 10.3364 11.5957 11.5957 12.1841 12.1841 12.2765 12.2765 12.3562 12.3562 13.2578 13.2578 k = 0.2167 0.3753 0.4604 ( 5166 PWs) bands (ev): -19.3209 -19.3209 -13.7754 -13.7754 -12.7742 -12.7742 -12.1593 -12.1593 -11.4871 -11.4871 -10.9995 -10.9995 -10.6497 -10.6497 -5.9375 -5.9375 -4.0773 -4.0773 -3.9563 -3.9563 -2.9650 -2.9650 -1.0604 -1.0604 0.0908 0.0908 0.7596 0.7596 1.2955 1.2955 1.4019 1.4019 2.0047 2.0047 2.4246 2.4246 3.2310 3.2310 3.7250 3.7250 4.0788 4.0788 4.1190 4.1190 4.2473 4.2473 4.5123 4.5123 4.5771 4.5771 4.7477 4.7477 4.7769 4.7769 4.9698 4.9698 10.2823 10.2823 11.6366 11.6366 12.1750 12.1750 12.2623 12.2623 12.3306 12.3306 13.2531 13.2531 k = 0.2083 0.3608 0.4604 ( 5162 PWs) bands (ev): -19.3211 -19.3211 -13.8082 -13.8082 -12.7321 -12.7321 -12.1525 -12.1525 -11.5003 -11.5003 -10.9802 -10.9802 -10.6565 -10.6565 -5.9400 -5.9400 -4.0836 -4.0836 -3.9609 -3.9609 -3.0337 -3.0337 -0.9842 -0.9842 0.0635 0.0635 0.7786 0.7786 1.2890 1.2890 1.3897 1.3897 1.9837 1.9837 2.4698 2.4698 3.2838 3.2838 3.7079 3.7079 4.0834 4.0834 4.1065 4.1065 4.2385 4.2385 4.5020 4.5020 4.5794 4.5794 4.7546 4.7546 4.7666 4.7666 4.9531 4.9531 10.2280 10.2280 11.6761 11.6761 12.1663 12.1663 12.2429 12.2429 12.3119 12.3119 13.2361 13.2361 k = 0.2000 0.3464 0.4604 ( 5162 PWs) bands (ev): -19.3213 -19.3213 -13.8404 -13.8404 -12.6899 -12.6899 -12.1455 -12.1455 -11.5133 -11.5133 -10.9613 -10.9613 -10.6631 -10.6631 -5.9427 -5.9427 -4.0900 -4.0900 -3.9659 -3.9659 -3.1019 -3.1019 -0.9084 -0.9084 0.0376 0.0376 0.7981 0.7981 1.2816 1.2816 1.3787 1.3787 1.9580 1.9580 2.5177 2.5177 3.3376 3.3376 3.6943 3.6943 4.0879 4.0879 4.0943 4.0943 4.2286 4.2286 4.4918 4.4918 4.5819 4.5819 4.7488 4.7488 4.7665 4.7665 4.9352 4.9352 10.1736 10.1736 11.7141 11.7141 12.1571 12.1571 12.2200 12.2200 12.2996 12.2996 13.2085 13.2085 k = 0.1917 0.3320 0.4604 ( 5166 PWs) bands (ev): -19.3216 -19.3216 -13.8718 -13.8718 -12.6477 -12.6477 -12.1384 -12.1384 -11.5261 -11.5261 -10.9429 -10.9429 -10.6696 -10.6696 -5.9453 -5.9453 -4.0964 -4.0964 -3.9713 -3.9713 -3.1696 -3.1696 -0.8332 -0.8332 0.0133 0.0133 0.8180 0.8180 1.2733 1.2733 1.3687 1.3687 1.9278 1.9278 2.5682 2.5682 3.3919 3.3919 3.6842 3.6842 4.0793 4.0793 4.0956 4.0956 4.2176 4.2176 4.4817 4.4817 4.5842 4.5842 4.7343 4.7343 4.7729 4.7729 4.9161 4.9161 10.1192 10.1192 11.7505 11.7505 12.1449 12.1449 12.1981 12.1981 12.2914 12.2914 13.1717 13.1717 k = 0.1833 0.3175 0.4604 ( 5158 PWs) bands (ev): -19.3218 -19.3218 -13.9024 -13.9024 -12.6056 -12.6056 -12.1313 -12.1313 -11.5387 -11.5387 -10.9250 -10.9250 -10.6757 -10.6757 -5.9481 -5.9481 -4.1028 -4.1028 -3.9770 -3.9770 -3.2365 -3.2365 -0.7588 -0.7588 -0.0090 -0.0090 0.8382 0.8382 1.2644 1.2644 1.3598 1.3598 1.8933 1.8933 2.6211 2.6211 3.4466 3.4466 3.6774 3.6774 4.0660 4.0660 4.1021 4.1021 4.2057 4.2057 4.4719 4.4719 4.5860 4.5860 4.7176 4.7176 4.7792 4.7792 4.8963 4.8963 10.0647 10.0647 11.7852 11.7852 12.1265 12.1265 12.1827 12.1827 12.2854 12.2854 13.1271 13.1271 k = 0.1750 0.3031 0.4604 ( 5156 PWs) bands (ev): -19.3221 -19.3221 -13.9320 -13.9320 -12.5638 -12.5638 -12.1240 -12.1240 -11.5512 -11.5512 -10.9076 -10.9076 -10.6816 -10.6816 -5.9509 -5.9509 -4.1092 -4.1092 -3.9829 -3.9829 -3.3023 -3.3023 -0.6854 -0.6854 -0.0294 -0.0294 0.8587 0.8587 1.2548 1.2548 1.3517 1.3517 1.8550 1.8550 2.6762 2.6762 3.5012 3.5012 3.6740 3.6740 4.0525 4.0525 4.1092 4.1092 4.1930 4.1930 4.4625 4.4625 4.5869 4.5869 4.6993 4.6993 4.7848 4.7848 4.8762 4.8762 10.0103 10.0103 11.8181 11.8181 12.1018 12.1018 12.1745 12.1745 12.2807 12.2807 13.0763 13.0763 k = 0.1667 0.2887 0.4604 ( 5160 PWs) bands (ev): -19.3223 -19.3223 -13.9606 -13.9606 -12.5223 -12.5223 -12.1167 -12.1167 -11.5636 -11.5636 -10.8908 -10.8908 -10.6872 -10.6872 -5.9537 -5.9537 -4.1156 -4.1156 -3.9890 -3.9890 -3.3670 -3.3670 -0.6133 -0.6133 -0.0477 -0.0477 0.8793 0.8793 1.2446 1.2446 1.3446 1.3446 1.8132 1.8132 2.7332 2.7332 3.5554 3.5554 3.6737 3.6737 4.0390 4.0390 4.1166 4.1166 4.1796 4.1796 4.4536 4.4536 4.5863 4.5863 4.6795 4.6795 4.7896 4.7896 4.8563 4.8563 9.9560 9.9560 11.8491 11.8491 12.0740 12.0740 12.1711 12.1711 12.2768 12.2768 13.0207 13.0207 k = 0.1583 0.2742 0.4604 ( 5156 PWs) bands (ev): -19.3226 -19.3226 -13.9881 -13.9881 -12.4814 -12.4814 -12.1094 -12.1094 -11.5758 -11.5758 -10.8748 -10.8748 -10.6923 -10.6923 -5.9565 -5.9565 -4.1222 -4.1222 -3.9951 -3.9951 -3.4302 -3.4302 -0.5425 -0.5425 -0.0638 -0.0638 0.8999 0.8999 1.2338 1.2338 1.3384 1.3384 1.7687 1.7687 2.7918 2.7918 3.6088 3.6088 3.6764 3.6764 4.0257 4.0257 4.1240 4.1240 4.1659 4.1659 4.4453 4.4453 4.5836 4.5836 4.6586 4.6586 4.7936 4.7936 4.8374 4.8374 9.9021 9.9021 11.8782 11.8782 12.0453 12.0453 12.1704 12.1704 12.2735 12.2735 12.9617 12.9617 k = 0.1500 0.2598 0.4604 ( 5146 PWs) bands (ev): -19.3228 -19.3228 -14.0145 -14.0145 -12.4412 -12.4412 -12.1021 -12.1021 -11.5879 -11.5879 -10.8594 -10.8594 -10.6971 -10.6971 -5.9593 -5.9593 -4.1288 -4.1288 -4.0013 -4.0013 -3.4917 -3.4917 -0.4733 -0.4733 -0.0776 -0.0776 0.9203 0.9203 1.2226 1.2226 1.3333 1.3333 1.7218 1.7218 2.8519 2.8519 3.6602 3.6602 3.6826 3.6826 4.0126 4.0126 4.1311 4.1311 4.1520 4.1520 4.4378 4.4378 4.5775 4.5775 4.6372 4.6372 4.7966 4.7966 4.8203 4.8203 9.8486 9.8486 11.9055 11.9055 12.0167 12.0167 12.1716 12.1716 12.2706 12.2706 12.9004 12.9004 k = 0.1417 0.2454 0.4604 ( 5142 PWs) bands (ev): -19.3231 -19.3231 -14.0398 -14.0398 -12.4019 -12.4019 -12.0947 -12.0947 -11.5998 -11.5998 -10.8448 -10.8448 -10.7014 -10.7014 -5.9620 -5.9620 -4.1355 -4.1355 -4.0075 -4.0075 -3.5512 -3.5512 -0.4059 -0.4059 -0.0890 -0.0890 0.9402 0.9402 1.2110 1.2110 1.3291 1.3291 1.6733 1.6733 2.9132 2.9132 3.6870 3.6870 3.7142 3.7142 3.9999 3.9999 4.1357 4.1357 4.1402 4.1402 4.4313 4.4313 4.5668 4.5668 4.6162 4.6162 4.7972 4.7972 4.8068 4.8068 9.7957 9.7957 11.9307 11.9307 11.9887 11.9887 12.1742 12.1742 12.2680 12.2680 12.8380 12.8380 k = 0.1333 0.2309 0.4604 ( 5154 PWs) bands (ev): -19.3233 -19.3233 -14.0638 -14.0638 -12.3635 -12.3635 -12.0872 -12.0872 -11.6116 -11.6116 -10.8310 -10.8310 -10.7054 -10.7054 -5.9647 -5.9647 -4.1423 -4.1423 -4.0136 -4.0136 -3.6085 -3.6085 -0.3406 -0.3406 -0.0982 -0.0982 0.9594 0.9594 1.1991 1.1991 1.3259 1.3259 1.6237 1.6237 2.9753 2.9753 3.6971 3.6971 3.7624 3.7624 3.9877 3.9877 4.1237 4.1237 4.1445 4.1445 4.4259 4.4259 4.5502 4.5502 4.5965 4.5965 4.7902 4.7902 4.8031 4.8031 9.7436 9.7436 11.9529 11.9529 11.9626 11.9626 12.1779 12.1779 12.2658 12.2658 12.7755 12.7755 k = 0.1250 0.2165 0.4604 ( 5154 PWs) bands (ev): -19.3236 -19.3236 -14.0866 -14.0866 -12.3264 -12.3264 -12.0798 -12.0798 -11.6233 -11.6233 -10.8181 -10.8181 -10.7089 -10.7089 -5.9673 -5.9673 -4.1493 -4.1493 -4.0195 -4.0195 -3.6634 -3.6634 -0.2776 -0.2776 -0.1049 -0.1049 0.9774 0.9774 1.1871 1.1871 1.3236 1.3236 1.5737 1.5737 3.0382 3.0382 3.7083 3.7083 3.8085 3.8085 3.9763 3.9763 4.1107 4.1107 4.1493 4.1493 4.4219 4.4219 4.5282 4.5282 4.5778 4.5778 4.7817 4.7817 4.8033 4.8033 9.6925 9.6925 11.9347 11.9347 11.9760 11.9760 12.1826 12.1826 12.2638 12.2638 12.7136 12.7136 k = 0.1167 0.2021 0.4604 ( 5158 PWs) bands (ev): -19.3239 -19.3239 -14.1081 -14.1081 -12.2907 -12.2907 -12.0723 -12.0723 -11.6347 -11.6347 -10.8060 -10.8060 -10.7120 -10.7120 -5.9699 -5.9699 -4.1565 -4.1565 -4.0252 -4.0252 -3.7154 -3.7154 -0.2176 -0.2176 -0.1088 -0.1088 0.9939 0.9939 1.1753 1.1753 1.3221 1.3221 1.5240 1.5240 3.1014 3.1014 3.7209 3.7209 3.8508 3.8508 3.9663 3.9663 4.0987 4.0987 4.1529 4.1529 4.4193 4.4193 4.5023 4.5023 4.5591 4.5591 4.7756 4.7756 4.8032 4.8032 9.6428 9.6428 11.9097 11.9097 11.9954 11.9954 12.1879 12.1879 12.2621 12.2621 12.6533 12.6533 k = 0.1083 0.1876 0.4604 ( 5158 PWs) bands (ev): -19.3241 -19.3241 -14.1283 -14.1283 -12.2565 -12.2565 -12.0649 -12.0649 -11.6458 -11.6458 -10.7948 -10.7948 -10.7147 -10.7147 -5.9723 -5.9723 -4.1640 -4.1640 -4.0307 -4.0307 -3.7644 -3.7644 -0.1627 -0.1627 -0.1080 -0.1080 1.0083 1.0083 1.1641 1.1641 1.3212 1.3212 1.4755 1.4755 3.1648 3.1648 3.7346 3.7346 3.8868 3.8868 3.9591 3.9591 4.0883 4.0883 4.1548 4.1548 4.4182 4.4182 4.4743 4.4743 4.5397 4.5397 4.7719 4.7719 4.8025 4.8025 9.5946 9.5946 11.8858 11.8858 12.0131 12.0131 12.1938 12.1938 12.2605 12.2605 12.5953 12.5953 k = 0.1000 0.1732 0.4604 ( 5142 PWs) bands (ev): -19.3243 -19.3243 -14.1471 -14.1471 -12.2241 -12.2241 -12.0573 -12.0573 -11.6567 -11.6567 -10.7845 -10.7845 -10.7170 -10.7170 -5.9746 -5.9746 -4.1718 -4.1718 -4.0359 -4.0359 -3.8101 -3.8101 -0.1280 -0.1280 -0.0877 -0.0877 1.0198 1.0198 1.1539 1.1539 1.3201 1.3201 1.4295 1.4295 3.2281 3.2281 3.7492 3.7492 3.9103 3.9103 3.9597 3.9597 4.0806 4.0806 4.1550 4.1550 4.4177 4.4177 4.4458 4.4458 4.5201 4.5201 4.7700 4.7700 4.8012 4.8012 9.5482 9.5482 11.8632 11.8632 12.0291 12.0291 12.1998 12.1998 12.2590 12.2590 12.5404 12.5404 k = 0.0917 0.1588 0.4604 ( 5138 PWs) bands (ev): -19.3246 -19.3246 -14.1645 -14.1645 -12.1938 -12.1938 -12.0498 -12.0498 -11.6672 -11.6672 -10.7752 -10.7752 -10.7189 -10.7189 -5.9767 -5.9767 -4.1799 -4.1799 -4.0407 -4.0407 -3.8522 -3.8522 -0.1202 -0.1202 -0.0418 -0.0418 1.0274 1.0274 1.1457 1.1457 1.3166 1.3166 1.3888 1.3888 3.2910 3.2910 3.7644 3.7644 3.9153 3.9153 3.9718 3.9718 4.0771 4.0771 4.1533 4.1533 4.4076 4.4076 4.4275 4.4275 4.5010 4.5010 4.7694 4.7694 4.7993 4.7993 9.5040 9.5040 11.8420 11.8420 12.0434 12.0434 12.2056 12.2056 12.2574 12.2574 12.4894 12.4894 k = 0.0833 0.1443 0.4604 ( 5134 PWs) bands (ev): -19.3248 -19.3248 -14.1804 -14.1804 -12.1657 -12.1657 -12.0422 -12.0422 -11.6773 -11.6773 -10.7667 -10.7667 -10.7205 -10.7205 -5.9787 -5.9787 -4.1885 -4.1885 -4.0452 -4.0452 -3.8903 -3.8903 -0.1164 -0.1164 0.0064 0.0064 1.0303 1.0303 1.1400 1.1400 1.3039 1.3039 1.3609 1.3609 3.3533 3.3533 3.7802 3.7802 3.9111 3.9111 3.9844 3.9844 4.0790 4.0790 4.1501 4.1501 4.3788 4.3788 4.4285 4.4285 4.4838 4.4838 4.7694 4.7694 4.7970 4.7970 9.4623 9.4623 11.8222 11.8222 12.0561 12.0561 12.2106 12.2106 12.2555 12.2555 12.4433 12.4433 k = 0.0750 0.1299 0.4604 ( 5134 PWs) bands (ev): -19.3250 -19.3250 -14.1949 -14.1949 -12.1400 -12.1400 -12.0345 -12.0345 -11.6869 -11.6869 -10.7593 -10.7593 -10.7217 -10.7217 -5.9806 -5.9806 -4.1974 -4.1974 -4.0494 -4.0494 -3.9244 -3.9244 -0.1122 -0.1122 0.0523 0.0523 1.0279 1.0279 1.1371 1.1371 1.2770 1.2770 1.3512 1.3512 3.4147 3.4147 3.7961 3.7961 3.9046 3.9046 3.9907 3.9907 4.0853 4.0853 4.1455 4.1455 4.3468 4.3468 4.4329 4.4329 4.4699 4.4699 4.7697 4.7697 4.7943 4.7943 9.4233 9.4233 11.8040 11.8040 12.0672 12.0672 12.2138 12.2138 12.2533 12.2533 12.4034 12.4034 k = 0.0667 0.1155 0.4604 ( 5142 PWs) bands (ev): -19.3251 -19.3251 -14.2080 -14.2080 -12.1171 -12.1171 -12.0267 -12.0267 -11.6960 -11.6960 -10.7528 -10.7528 -10.7226 -10.7226 -5.9823 -5.9823 -4.2067 -4.2067 -4.0532 -4.0532 -3.9542 -3.9542 -0.1074 -0.1074 0.0949 0.0949 1.0208 1.0208 1.1362 1.1362 1.2458 1.2458 1.3510 1.3510 3.4750 3.4750 3.8120 3.8120 3.8980 3.8980 3.9918 3.9918 4.0921 4.0921 4.1400 4.1400 4.3134 4.3134 4.4379 4.4379 4.4608 4.4608 4.7698 4.7698 4.7914 4.7914 9.3873 9.3873 11.7874 11.7874 12.0769 12.0769 12.2131 12.2131 12.2516 12.2516 12.3709 12.3709 k = 0.0583 0.1010 0.4604 ( 5148 PWs) bands (ev): -19.3253 -19.3253 -14.2196 -14.2196 -12.0972 -12.0972 -12.0187 -12.0187 -11.7043 -11.7043 -10.7473 -10.7473 -10.7232 -10.7232 -5.9838 -5.9838 -4.2161 -4.2161 -4.0566 -4.0566 -3.9796 -3.9796 -0.1021 -0.1021 0.1337 0.1337 1.0102 1.0102 1.1356 1.1356 1.2173 1.2173 1.3539 1.3539 3.5336 3.5336 3.8275 3.8275 3.8920 3.8920 3.9904 3.9904 4.0955 4.0955 4.1341 4.1341 4.2790 4.2790 4.4427 4.4427 4.4578 4.4578 4.7695 4.7695 4.7885 4.7885 9.3548 9.3548 11.7724 11.7724 12.0852 12.0852 12.2065 12.2065 12.2515 12.2515 12.3471 12.3471 k = 0.0500 0.0866 0.4604 ( 5148 PWs) bands (ev): -19.3254 -19.3254 -14.2296 -14.2296 -12.0805 -12.0805 -12.0107 -12.0107 -11.7119 -11.7119 -10.7428 -10.7428 -10.7234 -10.7234 -5.9851 -5.9851 -4.2254 -4.2254 -4.0598 -4.0598 -4.0008 -4.0008 -0.0964 -0.0964 0.1684 0.1684 0.9975 0.9975 1.1331 1.1331 1.1949 1.1949 1.3580 1.3580 3.5904 3.5904 3.8425 3.8425 3.8870 3.8870 3.9884 3.9884 4.0941 4.0941 4.1284 4.1284 4.2437 4.2437 4.4469 4.4469 4.4601 4.4601 4.7686 4.7686 4.7857 4.7857 9.3259 9.3259 11.7592 11.7592 12.0922 12.0922 12.1939 12.1939 12.2532 12.2532 12.3315 12.3315 k = 0.0417 0.0722 0.4604 ( 5140 PWs) bands (ev): -19.3256 -19.3256 -14.2381 -14.2381 -12.0669 -12.0669 -12.0029 -12.0029 -11.7186 -11.7186 -10.7393 -10.7393 -10.7232 -10.7232 -5.9862 -5.9862 -4.2343 -4.2343 -4.0626 -4.0626 -4.0178 -4.0178 -0.0908 -0.0908 0.1985 0.1985 0.9839 0.9839 1.1268 1.1268 1.1807 1.1807 1.3624 1.3624 3.6444 3.6444 3.8562 3.8562 3.8836 3.8836 3.9866 3.9866 4.0883 4.0883 4.1225 4.1225 4.2078 4.2078 4.4522 4.4522 4.4651 4.4651 4.7672 4.7672 4.7832 4.7832 9.3010 9.3010 11.7479 11.7479 12.0980 12.0980 12.1783 12.1783 12.2557 12.2557 12.3224 12.3224 k = 0.0333 0.0577 0.4604 ( 5152 PWs) bands (ev): -19.3257 -19.3257 -14.2451 -14.2451 -12.0564 -12.0564 -11.9955 -11.9955 -11.7243 -11.7243 -10.7368 -10.7368 -10.7227 -10.7227 -5.9871 -5.9871 -4.2424 -4.2424 -4.0652 -4.0652 -4.0309 -4.0309 -0.0856 -0.0856 0.2238 0.2238 0.9707 0.9707 1.1170 1.1170 1.1741 1.1741 1.3665 1.3665 3.6948 3.6948 3.8678 3.8678 3.8827 3.8827 3.9855 3.9855 4.0793 4.0793 4.1164 4.1164 4.1726 4.1726 4.4586 4.4586 4.4706 4.4706 4.7655 4.7655 4.7810 4.7810 9.2802 9.2802 11.7384 11.7384 12.1027 12.1027 12.1626 12.1626 12.2583 12.2583 12.3175 12.3175 k = 0.0250 0.0433 0.4604 ( 5160 PWs) bands (ev): -19.3258 -19.3258 -14.2506 -14.2506 -12.0487 -12.0487 -11.9891 -11.9891 -11.7288 -11.7288 -10.7352 -10.7352 -10.7220 -10.7220 -5.9878 -5.9878 -4.2492 -4.2492 -4.0675 -4.0675 -4.0403 -4.0403 -0.0811 -0.0811 0.2439 0.2439 0.9591 0.9591 1.1069 1.1069 1.1718 1.1718 1.3701 1.3701 3.7395 3.7395 3.8759 3.8759 3.8865 3.8865 3.9851 3.9851 4.0677 4.0677 4.1103 4.1103 4.1401 4.1401 4.4651 4.4651 4.4757 4.4757 4.7637 4.7637 4.7792 4.7792 9.2639 9.2639 11.7310 11.7310 12.1063 12.1063 12.1489 12.1489 12.2605 12.2605 12.3150 12.3150 k = 0.0167 0.0289 0.4604 ( 5156 PWs) bands (ev): -19.3258 -19.3258 -14.2545 -14.2545 -12.0435 -12.0435 -11.9841 -11.9841 -11.7322 -11.7322 -10.7342 -10.7342 -10.7213 -10.7213 -5.9883 -5.9883 -4.2544 -4.2544 -4.0694 -4.0694 -4.0465 -4.0465 -0.0776 -0.0776 0.2585 0.2585 0.9499 0.9499 1.0989 1.0989 1.1712 1.1712 1.3729 1.3729 3.7750 3.7750 3.8830 3.8830 3.8930 3.8930 3.9852 3.9852 4.0529 4.0529 4.1042 4.1042 4.1150 4.1150 4.4705 4.4705 4.4799 4.4799 4.7621 4.7621 4.7778 4.7778 9.2520 9.2520 11.7256 11.7256 12.1088 12.1088 12.1384 12.1384 12.2621 12.2621 12.3139 12.3139 k = 0.0083 0.0144 0.4604 ( 5152 PWs) bands (ev): -19.3258 -19.3258 -14.2568 -14.2568 -12.0404 -12.0404 -11.9810 -11.9810 -11.7342 -11.7342 -10.7337 -10.7337 -10.7208 -10.7208 -5.9886 -5.9886 -4.2576 -4.2576 -4.0708 -4.0708 -4.0499 -4.0499 -0.0754 -0.0754 0.2674 0.2674 0.9441 0.9441 1.0938 1.0938 1.1711 1.1711 1.3746 1.3746 3.7969 3.7969 3.8919 3.8919 3.8985 3.8985 3.9856 3.9856 4.0366 4.0366 4.0958 4.0958 4.1046 4.1046 4.4740 4.4740 4.4827 4.4827 4.7610 4.7610 4.7769 4.7769 9.2449 9.2449 11.7224 11.7224 12.1103 12.1103 12.1320 12.1320 12.2631 12.2631 12.3134 12.3134 k = 0.0000 0.0000 0.4604 ( 5148 PWs) bands (ev): -19.3259 -19.3259 -14.2576 -14.2576 -12.0394 -12.0394 -11.9799 -11.9799 -11.7349 -11.7349 -10.7336 -10.7336 -10.7206 -10.7206 -5.9887 -5.9887 -4.2587 -4.2587 -4.0713 -4.0713 -4.0510 -4.0510 -0.0747 -0.0747 0.2704 0.2704 0.9422 0.9422 1.0921 1.0921 1.1711 1.1711 1.3752 1.3752 3.8039 3.8039 3.8961 3.8961 3.9016 3.9016 3.9858 3.9858 4.0285 4.0285 4.0916 4.0916 4.1028 4.1028 4.4752 4.4752 4.4837 4.4837 4.7607 4.7607 4.7767 4.7767 9.2425 9.2425 11.7213 11.7213 12.1108 12.1108 12.1298 12.1298 12.2634 12.2634 12.3133 12.3133 k = 0.5000 0.2887 0.4604 ( 5164 PWs) bands (ev): -19.3202 -19.3202 -13.6181 -13.6181 -12.9974 -12.9974 -12.1398 -12.1398 -11.4662 -11.4662 -10.9457 -10.9457 -10.7310 -10.7310 -5.9336 -5.9336 -4.1117 -4.1117 -3.9033 -3.9033 -2.6166 -2.6166 -1.3777 -1.3777 0.1474 0.1474 0.7619 0.7619 1.2370 1.2370 1.4773 1.4773 1.6510 1.6510 2.9445 2.9445 3.1819 3.1819 3.6315 3.6315 3.7051 3.7051 4.1752 4.1752 4.4316 4.4316 4.4794 4.4794 4.4997 4.4997 4.7475 4.7475 4.8586 4.8586 5.0090 5.0090 10.4835 10.4835 11.5106 11.5106 11.9577 11.9577 12.5186 12.5186 12.8438 12.8438 13.0660 13.0660 k = 0.5000 0.2887 0.4439 ( 5164 PWs) bands (ev): -19.3202 -19.3202 -13.6182 -13.6182 -12.9973 -12.9973 -12.1399 -12.1399 -11.4661 -11.4661 -10.9459 -10.9459 -10.7307 -10.7307 -5.9336 -5.9336 -4.1114 -4.1114 -3.9037 -3.9037 -2.6173 -2.6173 -1.3772 -1.3772 0.1479 0.1479 0.7618 0.7618 1.2375 1.2375 1.4762 1.4762 1.6523 1.6523 2.9445 2.9445 3.1803 3.1803 3.6320 3.6320 3.7051 3.7051 4.1774 4.1774 4.4295 4.4295 4.4777 4.4777 4.5025 4.5025 4.7472 4.7472 4.8578 4.8578 5.0088 5.0088 10.4838 10.4838 11.5078 11.5078 11.9581 11.9581 12.5189 12.5189 12.8441 12.8441 13.0673 13.0673 k = 0.5000 0.2887 0.4275 ( 5164 PWs) bands (ev): -19.3202 -19.3202 -13.6184 -13.6184 -12.9970 -12.9970 -12.1402 -12.1402 -11.4656 -11.4656 -10.9465 -10.9465 -10.7299 -10.7299 -5.9338 -5.9338 -4.1106 -4.1106 -3.9051 -3.9051 -2.6193 -2.6193 -1.3759 -1.3759 0.1495 0.1495 0.7618 0.7618 1.2390 1.2390 1.4728 1.4728 1.6561 1.6561 2.9445 2.9445 3.1757 3.1757 3.6334 3.6334 3.7049 3.7049 4.1838 4.1838 4.4237 4.4237 4.4739 4.4739 4.5094 4.5094 4.7462 4.7462 4.8554 4.8554 5.0082 5.0082 10.4848 10.4848 11.4995 11.4995 11.9589 11.9589 12.5197 12.5197 12.8451 12.8451 13.0711 13.0711 k = 0.5000 0.2887 0.4110 ( 5168 PWs) bands (ev): -19.3202 -19.3202 -13.6187 -13.6187 -12.9966 -12.9966 -12.1407 -12.1407 -11.4647 -11.4647 -10.9476 -10.9476 -10.7286 -10.7286 -5.9341 -5.9341 -4.1092 -4.1092 -3.9075 -3.9075 -2.6225 -2.6225 -1.3737 -1.3737 0.1521 0.1521 0.7618 0.7618 1.2416 1.2416 1.4674 1.4674 1.6623 1.6623 2.9446 2.9446 3.1681 3.1681 3.6356 3.6356 3.7047 3.7047 4.1944 4.1944 4.4154 4.4154 4.4687 4.4687 4.5182 4.5182 4.7445 4.7445 4.8513 4.8513 5.0073 5.0073 10.4865 10.4865 11.4861 11.4861 11.9600 11.9600 12.5211 12.5211 12.8465 12.8465 13.0774 13.0774 k = 0.5000 0.2887 0.3946 ( 5162 PWs) bands (ev): -19.3203 -19.3203 -13.6192 -13.6192 -12.9960 -12.9960 -12.1415 -12.1415 -11.4636 -11.4636 -10.9490 -10.9490 -10.7268 -10.7268 -5.9344 -5.9344 -4.1072 -4.1072 -3.9107 -3.9107 -2.6270 -2.6270 -1.3707 -1.3707 0.1557 0.1557 0.7617 0.7617 1.2453 1.2453 1.4600 1.4600 1.6708 1.6708 2.9448 2.9448 3.1581 3.1581 3.6384 3.6384 3.7044 3.7044 4.2088 4.2088 4.4058 4.4058 4.4622 4.4622 4.5280 4.5280 4.7422 4.7422 4.8458 4.8458 5.0061 5.0061 10.4888 10.4888 11.4683 11.4683 11.9610 11.9610 12.5231 12.5231 12.8481 12.8481 13.0861 13.0861 k = 0.5000 0.2887 0.3782 ( 5180 PWs) bands (ev): -19.3203 -19.3203 -13.6199 -13.6199 -12.9953 -12.9953 -12.1424 -12.1424 -11.4621 -11.4621 -10.9507 -10.9507 -10.7246 -10.7246 -5.9349 -5.9349 -4.1047 -4.1047 -3.9147 -3.9147 -2.6328 -2.6328 -1.3668 -1.3668 0.1603 0.1603 0.7616 0.7616 1.2498 1.2498 1.4510 1.4510 1.6813 1.6813 2.9449 2.9449 3.1458 3.1458 3.6418 3.6418 3.7041 3.7041 4.2264 4.2264 4.3955 4.3955 4.4544 4.4544 4.5381 4.5381 4.7396 4.7396 4.8387 4.8387 5.0045 5.0045 10.4917 10.4917 11.4466 11.4466 11.9614 11.9614 12.5256 12.5256 12.8497 12.8497 13.0973 13.0973 k = 0.5000 0.2887 0.3617 ( 5168 PWs) bands (ev): -19.3204 -19.3204 -13.6206 -13.6206 -12.9945 -12.9945 -12.1435 -12.1435 -11.4604 -11.4604 -10.9528 -10.9528 -10.7219 -10.7219 -5.9355 -5.9355 -4.1017 -4.1017 -3.9194 -3.9194 -2.6397 -2.6397 -1.3623 -1.3623 0.1658 0.1658 0.7615 0.7615 1.2553 1.2553 1.4406 1.4406 1.6936 1.6936 2.9451 2.9451 3.1318 3.1318 3.6456 3.6456 3.7036 3.7036 4.2468 4.2468 4.3850 4.3850 4.4454 4.4454 4.5482 4.5482 4.7367 4.7367 4.8302 4.8302 5.0025 5.0025 10.4952 10.4952 11.4219 11.4219 11.9608 11.9608 12.5286 12.5286 12.8507 12.8507 13.1109 13.1109 k = 0.5000 0.2887 0.3453 ( 5164 PWs) bands (ev): -19.3204 -19.3204 -13.6215 -13.6215 -12.9935 -12.9935 -12.1448 -12.1448 -11.4584 -11.4584 -10.9551 -10.9551 -10.7188 -10.7188 -5.9362 -5.9362 -4.0981 -4.0981 -3.9248 -3.9248 -2.6476 -2.6476 -1.3571 -1.3571 0.1721 0.1721 0.7613 0.7613 1.2617 1.2617 1.4290 1.4290 1.7077 1.7077 2.9452 2.9452 3.1163 3.1163 3.6496 3.6496 3.7030 3.7030 4.2692 4.2692 4.3747 4.3747 4.4351 4.4351 4.5582 4.5582 4.7338 4.7338 4.8203 4.8203 5.0002 5.0002 10.4993 10.4993 11.3948 11.3948 11.9591 11.9591 12.5321 12.5321 12.8508 12.8508 13.1267 13.1267 k = 0.5000 0.2887 0.3288 ( 5154 PWs) bands (ev): -19.3205 -19.3205 -13.6225 -13.6225 -12.9924 -12.9924 -12.1462 -12.1462 -11.4561 -11.4561 -10.9577 -10.9577 -10.7155 -10.7155 -5.9370 -5.9370 -4.0942 -4.0942 -3.9308 -3.9308 -2.6566 -2.6566 -1.3513 -1.3513 0.1791 0.1791 0.7612 0.7612 1.2688 1.2688 1.4163 1.4163 1.7233 1.7233 2.9453 2.9453 3.0998 3.0998 3.6538 3.6538 3.7024 3.7024 4.2924 4.2924 4.3651 4.3651 4.4240 4.4240 4.5677 4.5677 4.7310 4.7310 4.8093 4.8093 4.9975 4.9975 10.5039 10.5039 11.3659 11.3659 11.9559 11.9559 12.5361 12.5361 12.8498 12.8498 13.1447 13.1447 k = 0.5000 0.2887 0.3124 ( 5150 PWs) bands (ev): -19.3206 -19.3206 -13.6235 -13.6235 -12.9911 -12.9911 -12.1477 -12.1477 -11.4537 -11.4537 -10.9605 -10.9605 -10.7119 -10.7119 -5.9380 -5.9380 -4.0898 -4.0898 -3.9371 -3.9371 -2.6666 -2.6666 -1.3450 -1.3450 0.1869 0.1869 0.7610 0.7610 1.2766 1.2766 1.4029 1.4029 1.7403 1.7403 2.9454 2.9454 3.0826 3.0826 3.6581 3.6581 3.7017 3.7017 4.3142 4.3142 4.3575 4.3575 4.4125 4.4125 4.5767 4.5767 4.7287 4.7287 4.7973 4.7973 4.9945 4.9945 10.5089 10.5089 11.3358 11.3358 11.9511 11.9511 12.5406 12.5406 12.8473 12.8473 13.1649 13.1649 k = 0.5000 0.2887 0.2959 ( 5144 PWs) bands (ev): -19.3207 -19.3207 -13.6247 -13.6247 -12.9898 -12.9898 -12.1494 -12.1494 -11.4510 -11.4510 -10.9635 -10.9635 -10.7080 -10.7080 -5.9390 -5.9390 -4.0851 -4.0851 -3.9438 -3.9438 -2.6773 -2.6773 -1.3383 -1.3383 0.1952 0.1952 0.7608 0.7608 1.2849 1.2849 1.3889 1.3889 1.7587 1.7587 2.9455 2.9455 3.0649 3.0649 3.6624 3.6624 3.7009 3.7009 4.3271 4.3271 4.3569 4.3569 4.4027 4.4027 4.5851 4.5851 4.7270 4.7270 4.7846 4.7846 4.9911 4.9911 10.5143 10.5143 11.3050 11.3050 11.9448 11.9448 12.5454 12.5454 12.8432 12.8432 13.1871 13.1871 k = 0.5000 0.2887 0.2795 ( 5152 PWs) bands (ev): -19.3208 -19.3208 -13.6259 -13.6259 -12.9884 -12.9884 -12.1511 -12.1511 -11.4483 -11.4483 -10.9665 -10.9665 -10.7040 -10.7040 -5.9400 -5.9400 -4.0802 -4.0802 -3.9506 -3.9506 -2.6888 -2.6888 -1.3313 -1.3313 0.2039 0.2039 0.7606 0.7606 1.2936 1.2936 1.3746 1.3746 1.7781 1.7781 2.9455 2.9455 3.0469 3.0469 3.6668 3.6668 3.7002 3.7002 4.3254 4.3254 4.3606 4.3606 4.4025 4.4025 4.5925 4.5925 4.7263 4.7263 4.7717 4.7717 4.9874 4.9874 10.5200 10.5200 11.2739 11.2739 11.9371 11.9371 12.5506 12.5506 12.8375 12.8375 13.2112 13.2112 k = 0.5000 0.2887 0.2631 ( 5156 PWs) bands (ev): -19.3209 -19.3209 -13.6271 -13.6271 -12.9870 -12.9870 -12.1530 -12.1530 -11.4454 -11.4454 -10.9696 -10.9696 -10.6999 -10.6999 -5.9412 -5.9412 -4.0752 -4.0752 -3.9573 -3.9573 -2.7009 -2.7009 -1.3241 -1.3241 0.2130 0.2130 0.7604 0.7604 1.3021 1.3021 1.3607 1.3607 1.7986 1.7986 2.9454 2.9454 3.0289 3.0289 3.6711 3.6711 3.6994 3.6994 4.3184 4.3184 4.3530 4.3530 4.4179 4.4179 4.5988 4.5988 4.7265 4.7265 4.7589 4.7589 4.9835 4.9835 10.5260 10.5260 11.2429 11.2429 11.9280 11.9280 12.5561 12.5561 12.8303 12.8303 13.2373 13.2373 k = 0.5000 0.2887 0.2466 ( 5154 PWs) bands (ev): -19.3210 -19.3210 -13.6284 -13.6284 -12.9855 -12.9855 -12.1548 -12.1548 -11.4424 -11.4424 -10.9728 -10.9728 -10.6958 -10.6958 -5.9424 -5.9424 -4.0702 -4.0702 -3.9636 -3.9636 -2.7134 -2.7134 -1.3168 -1.3168 0.2224 0.2224 0.7602 0.7602 1.3093 1.3093 1.3483 1.3483 1.8199 1.8199 2.9451 2.9451 3.0109 3.0109 3.6752 3.6752 3.6989 3.6989 4.3103 4.3103 4.3390 4.3390 4.4393 4.4393 4.6036 4.6036 4.7270 4.7270 4.7478 4.7478 4.9794 4.9794 10.5321 10.5321 11.2124 11.2124 11.9177 11.9177 12.5618 12.5618 12.8219 12.8219 13.2651 13.2651 k = 0.5000 0.2887 0.2302 ( 5162 PWs) bands (ev): -19.3211 -19.3211 -13.6297 -13.6297 -12.9840 -12.9840 -12.1567 -12.1567 -11.4394 -11.4394 -10.9760 -10.9760 -10.6916 -10.6916 -5.9437 -5.9437 -4.0656 -4.0656 -3.9695 -3.9695 -2.7262 -2.7262 -1.3095 -1.3095 0.2319 0.2319 0.7600 0.7600 1.3110 1.3110 1.3417 1.3417 1.8417 1.8417 2.9447 2.9447 2.9932 2.9932 3.6790 3.6790 3.6987 3.6987 4.3016 4.3016 4.3234 4.3234 4.4612 4.4612 4.6065 4.6065 4.7250 4.7250 4.7417 4.7417 4.9753 4.9753 10.5384 10.5384 11.1827 11.1827 11.9065 11.9065 12.5677 12.5677 12.8125 12.8125 13.2946 13.2946 k = 0.5000 0.2887 0.2137 ( 5160 PWs) bands (ev): -19.3212 -19.3212 -13.6310 -13.6310 -12.9825 -12.9825 -12.1586 -12.1586 -11.4364 -11.4364 -10.9791 -10.9791 -10.6875 -10.6875 -5.9451 -5.9451 -4.0617 -4.0617 -3.9744 -3.9744 -2.7393 -2.7393 -1.3022 -1.3022 0.2414 0.2414 0.7597 0.7597 1.3034 1.3034 1.3447 1.3447 1.8640 1.8640 2.9440 2.9440 2.9761 2.9761 3.6820 3.6820 3.6994 3.6994 4.2908 4.2908 4.3091 4.3091 4.4820 4.4820 4.6069 4.6069 4.7184 4.7184 4.7432 4.7432 4.9715 4.9715 10.5447 10.5447 11.1540 11.1540 11.8945 11.8945 12.5736 12.5736 12.8024 12.8024 13.3258 13.3258 k = 0.5000 0.2887 0.1973 ( 5156 PWs) bands (ev): -19.3213 -19.3213 -13.6323 -13.6323 -12.9810 -12.9810 -12.1604 -12.1604 -11.4335 -11.4335 -10.9821 -10.9821 -10.6835 -10.6835 -5.9464 -5.9464 -4.0586 -4.0586 -3.9780 -3.9780 -2.7523 -2.7523 -1.2951 -1.2951 0.2508 0.2508 0.7595 0.7595 1.2913 1.2913 1.3527 1.3527 1.8864 1.8864 2.9423 2.9423 2.9602 2.9602 3.6839 3.6839 3.7013 3.7013 4.2761 4.2761 4.2987 4.2987 4.5010 4.5010 4.6046 4.6046 4.7117 4.7117 4.7483 4.7483 4.9681 4.9681 10.5510 10.5510 11.1266 11.1266 11.8821 11.8821 12.5795 12.5795 12.7920 12.7920 13.3585 13.3585 k = 0.5000 0.2887 0.1809 ( 5160 PWs) bands (ev): -19.3213 -19.3213 -13.6335 -13.6335 -12.9795 -12.9795 -12.1622 -12.1622 -11.4306 -11.4306 -10.9850 -10.9850 -10.6796 -10.6796 -5.9478 -5.9478 -4.0569 -4.0569 -3.9801 -3.9801 -2.7652 -2.7652 -1.2883 -1.2883 0.2600 0.2600 0.7592 0.7592 1.2783 1.2783 1.3620 1.3620 1.9088 1.9088 2.9359 2.9359 2.9494 2.9494 3.6846 3.6846 3.7047 3.7047 4.2582 4.2582 4.2916 4.2916 4.5181 4.5181 4.5995 4.5995 4.7069 4.7069 4.7546 4.7546 4.9656 4.9656 10.5571 10.5571 11.1007 11.1007 11.8694 11.8694 12.5853 12.5853 12.7816 12.7816 13.3926 13.3926 k = 0.5000 0.2887 0.1644 ( 5148 PWs) bands (ev): -19.3214 -19.3214 -13.6347 -13.6347 -12.9781 -12.9781 -12.1639 -12.1639 -11.4278 -11.4278 -10.9878 -10.9878 -10.6759 -10.6759 -5.9491 -5.9491 -4.0565 -4.0565 -3.9805 -3.9805 -2.7778 -2.7778 -1.2817 -1.2817 0.2688 0.2688 0.7590 0.7590 1.2653 1.2653 1.3716 1.3716 1.9308 1.9308 2.9226 2.9226 2.9461 2.9461 3.6844 3.6844 3.7091 3.7091 4.2393 4.2393 4.2862 4.2862 4.5331 4.5331 4.5922 4.5922 4.7043 4.7043 4.7608 4.7608 4.9642 4.9642 10.5631 10.5631 11.0765 11.0765 11.8568 11.8568 12.5909 12.5909 12.7714 12.7714 13.4281 13.4281 k = 0.5000 0.2887 0.1480 ( 5154 PWs) bands (ev): -19.3215 -19.3215 -13.6358 -13.6358 -12.9768 -12.9768 -12.1656 -12.1656 -11.4252 -11.4252 -10.9904 -10.9904 -10.6724 -10.6724 -5.9504 -5.9504 -4.0575 -4.0575 -3.9793 -3.9793 -2.7899 -2.7899 -1.2756 -1.2756 0.2772 0.2772 0.7587 0.7587 1.2530 1.2530 1.3811 1.3811 1.9522 1.9522 2.9079 2.9079 2.9448 2.9448 3.6837 3.6837 3.7141 3.7141 4.2200 4.2200 4.2820 4.2820 4.5457 4.5457 4.5840 4.5840 4.7035 4.7035 4.7660 4.7660 4.9641 4.9641 10.5687 10.5687 11.0541 11.0541 11.8445 11.8445 12.5962 12.5962 12.7617 12.7617 13.4649 13.4649 k = 0.5000 0.2887 0.1315 ( 5158 PWs) bands (ev): -19.3216 -19.3216 -13.6368 -13.6368 -12.9755 -12.9755 -12.1671 -12.1671 -11.4227 -11.4227 -10.9928 -10.9928 -10.6692 -10.6692 -5.9516 -5.9516 -4.0595 -4.0595 -3.9768 -3.9768 -2.8013 -2.8013 -1.2699 -1.2699 0.2850 0.2850 0.7585 0.7585 1.2415 1.2415 1.3901 1.3901 1.9726 1.9726 2.8936 2.8936 2.9439 2.9439 3.6827 3.6827 3.7196 3.7196 4.2011 4.2011 4.2787 4.2787 4.5532 4.5532 4.5788 4.5788 4.7039 4.7039 4.7697 4.7697 4.9656 4.9656 10.5740 10.5740 11.0338 11.0338 11.8327 11.8327 12.6010 12.6010 12.7527 12.7527 13.5026 13.5026 k = 0.5000 0.2887 0.1151 ( 5156 PWs) bands (ev): -19.3217 -19.3217 -13.6378 -13.6378 -12.9744 -12.9744 -12.1685 -12.1685 -11.4205 -11.4205 -10.9950 -10.9950 -10.6663 -10.6663 -5.9527 -5.9527 -4.0622 -4.0622 -3.9736 -3.9736 -2.8119 -2.8119 -1.2648 -1.2648 0.2922 0.2922 0.7583 0.7583 1.2310 1.2310 1.3985 1.3985 1.9918 1.9918 2.8803 2.8803 2.9431 2.9431 3.6818 3.6818 3.7252 3.7252 4.1829 4.1829 4.2761 4.2761 4.5509 4.5509 4.5821 4.5821 4.7050 4.7050 4.7714 4.7714 4.9686 4.9686 10.5789 10.5789 11.0155 11.0155 11.8216 11.8216 12.6055 12.6055 12.7445 12.7445 13.5412 13.5412 k = 0.5000 0.2887 0.0986 ( 5154 PWs) bands (ev): -19.3217 -19.3217 -13.6386 -13.6386 -12.9734 -12.9734 -12.1697 -12.1697 -11.4185 -11.4185 -10.9969 -10.9969 -10.6637 -10.6637 -5.9538 -5.9538 -4.0651 -4.0651 -3.9700 -3.9700 -2.8215 -2.8215 -1.2602 -1.2602 0.2986 0.2986 0.7581 0.7581 1.2216 1.2216 1.4062 1.4062 2.0094 2.0094 2.8680 2.8680 2.9424 2.9424 3.6808 3.6808 3.7308 3.7308 4.1659 4.1659 4.2742 4.2742 4.5429 4.5429 4.5905 4.5905 4.7064 4.7064 4.7711 4.7711 4.9727 4.9727 10.5832 10.5832 10.9994 10.9994 11.8116 11.8116 12.6093 12.6093 12.7373 12.7373 13.5803 13.5803 k = 0.5000 0.2887 0.0822 ( 5146 PWs) bands (ev): -19.3218 -19.3218 -13.6394 -13.6394 -12.9725 -12.9725 -12.1708 -12.1708 -11.4168 -11.4168 -10.9986 -10.9986 -10.6615 -10.6615 -5.9547 -5.9547 -4.0679 -4.0679 -3.9664 -3.9664 -2.8299 -2.8299 -1.2563 -1.2563 0.3041 0.3041 0.7579 0.7579 1.2136 1.2136 1.4129 1.4129 2.0250 2.0250 2.8571 2.8571 2.9418 2.9418 3.6799 3.6799 3.7362 3.7362 4.1504 4.1504 4.2728 4.2728 4.5341 4.5341 4.5998 4.5998 4.7079 4.7079 4.7692 4.7692 4.9774 4.9774 10.5870 10.5870 10.9857 10.9857 11.8028 11.8028 12.6126 12.6126 12.7312 12.7312 13.6194 13.6194 k = 0.5000 0.2887 0.0658 ( 5138 PWs) bands (ev): -19.3218 -19.3218 -13.6400 -13.6400 -12.9717 -12.9717 -12.1717 -12.1717 -11.4153 -11.4153 -11.0000 -11.0000 -10.6596 -10.6596 -5.9555 -5.9555 -4.0705 -4.0705 -3.9631 -3.9631 -2.8370 -2.8370 -1.2530 -1.2530 0.3088 0.3088 0.7577 0.7577 1.2068 1.2068 1.4186 1.4186 2.0383 2.0383 2.8478 2.8478 2.9412 2.9412 3.6791 3.6791 3.7411 3.7411 4.1370 4.1370 4.2719 4.2719 4.5260 4.5260 4.6085 4.6085 4.7092 4.7092 4.7661 4.7661 4.9822 4.9822 10.5902 10.5902 10.9744 10.9744 11.7953 11.7953 12.6153 12.6153 12.7262 12.7262 13.6577 13.6577 k = 0.5000 0.2887 0.0493 ( 5138 PWs) bands (ev): -19.3219 -19.3219 -13.6405 -13.6405 -12.9711 -12.9711 -12.1724 -12.1724 -11.4142 -11.4142 -11.0011 -11.0011 -10.6582 -10.6582 -5.9561 -5.9561 -4.0727 -4.0727 -3.9603 -3.9603 -2.8427 -2.8427 -1.2505 -1.2505 0.3125 0.3125 0.7576 0.7576 1.2015 1.2015 1.4231 1.4231 2.0491 2.0491 2.8403 2.8403 2.9408 2.9408 3.6784 3.6784 3.7453 3.7453 4.1259 4.1259 4.2713 4.2713 4.5192 4.5192 4.6162 4.6162 4.7103 4.7103 4.7625 4.7625 4.9866 4.9866 10.5927 10.5927 10.9655 10.9655 11.7894 11.7894 12.6174 12.6174 12.7223 12.7223 13.6939 13.6939 k = 0.5000 0.2887 0.0329 ( 5144 PWs) bands (ev): -19.3219 -19.3219 -13.6408 -13.6408 -12.9707 -12.9707 -12.1729 -12.1729 -11.4133 -11.4133 -11.0019 -11.0019 -10.6571 -10.6571 -5.9565 -5.9565 -4.0743 -4.0743 -3.9582 -3.9582 -2.8468 -2.8468 -1.2486 -1.2486 0.3151 0.3151 0.7575 0.7575 1.1977 1.1977 1.4264 1.4264 2.0570 2.0570 2.8348 2.8348 2.9404 2.9404 3.6779 3.6779 3.7486 3.7486 4.1177 4.1177 4.2710 4.2710 4.5142 4.5142 4.6222 4.6222 4.7111 4.7111 4.7592 4.7592 4.9900 4.9900 10.5945 10.5945 10.9591 10.9591 11.7850 11.7850 12.6188 12.6188 12.7196 12.7196 13.7256 13.7256 k = 0.5000 0.2887 0.0164 ( 5148 PWs) bands (ev): -19.3219 -19.3219 -13.6410 -13.6410 -12.9704 -12.9704 -12.1732 -12.1732 -11.4128 -11.4128 -11.0024 -11.0024 -10.6565 -10.6565 -5.9568 -5.9568 -4.0753 -4.0753 -3.9569 -3.9569 -2.8493 -2.8493 -1.2475 -1.2475 0.3167 0.3167 0.7575 0.7575 1.1954 1.1954 1.4284 1.4284 2.0618 2.0618 2.8315 2.8315 2.9402 2.9402 3.6776 3.6776 3.7506 3.7506 4.1126 4.1126 4.2708 4.2708 4.5111 4.5111 4.6261 4.6261 4.7116 4.7116 4.7568 4.7568 4.9922 4.9922 10.5956 10.5956 10.9553 10.9553 11.7824 11.7824 12.6197 12.6197 12.7180 12.7180 13.7487 13.7487 k = 0.5000 0.2887-0.0000 ( 5148 PWs) bands (ev): -19.3219 -19.3219 -13.6411 -13.6411 -12.9703 -12.9703 -12.1733 -12.1733 -11.4127 -11.4127 -11.0025 -11.0025 -10.6563 -10.6563 -5.9569 -5.9569 -4.0756 -4.0756 -3.9564 -3.9564 -2.8502 -2.8502 -1.2471 -1.2471 0.3173 0.3173 0.7575 0.7575 1.1946 1.1946 1.4290 1.4290 2.0634 2.0634 2.8303 2.8303 2.9402 2.9402 3.6775 3.6775 3.7513 3.7513 4.1109 4.1109 4.2708 4.2708 4.5100 4.5100 4.6274 4.6274 4.7118 4.7118 4.7560 4.7560 4.9929 4.9929 10.5960 10.5960 10.9540 10.9540 11.7815 11.7815 12.6200 12.6200 12.7174 12.7174 13.7575 13.7575 k = 0.3333 0.5774-0.0000 ( 5175 PWs) bands (ev): -19.3210 -19.3210 -13.3300 -13.3300 -13.3098 -13.3098 -12.1983 -12.1983 -11.2306 -11.2306 -11.2275 -11.2275 -10.5992 -10.5992 -5.9641 -5.9641 -4.0865 -4.0865 -3.9886 -3.9886 -2.0612 -2.0612 -2.0549 -2.0549 0.4879 0.4879 0.5540 0.5540 1.4743 1.4743 1.7053 1.7053 2.2310 2.2310 2.2469 2.2469 2.5939 2.5939 4.0818 4.0818 4.0873 4.0873 4.0934 4.0934 4.2746 4.2746 4.4752 4.4752 4.4792 4.4792 4.6111 4.6111 4.6230 4.6230 5.0145 5.0145 10.8791 10.8791 10.8811 10.8811 11.9564 11.9564 12.0512 12.0512 12.6712 12.6712 13.9225 13.9225 k = 0.3333 0.5774 0.0164 ( 5181 PWs) bands (ev): -19.3209 -19.3209 -13.3303 -13.3303 -13.3100 -13.3100 -12.2016 -12.2016 -11.2299 -11.2299 -11.2266 -11.2266 -10.5935 -10.5935 -5.9690 -5.9690 -4.0954 -4.0954 -3.9970 -3.9970 -2.0516 -2.0516 -2.0481 -2.0481 0.4961 0.4961 0.5614 0.5614 1.4832 1.4832 1.7072 1.7072 2.2345 2.2345 2.2518 2.2518 2.6059 2.6059 4.0849 4.0849 4.0937 4.0937 4.1033 4.1033 4.2531 4.2531 4.4501 4.4501 4.4519 4.4519 4.6019 4.6019 4.6137 4.6137 5.0179 5.0179 10.8790 10.8790 10.8807 10.8807 11.9713 11.9713 12.0627 12.0627 12.6728 12.6728 13.9266 13.9266 k = 0.3333 0.5774 0.0329 ( 5175 PWs) bands (ev): -19.3209 -19.3209 -13.3303 -13.3303 -13.3102 -13.3102 -12.2049 -12.2049 -11.2294 -11.2294 -11.2259 -11.2259 -10.5878 -10.5878 -5.9735 -5.9735 -4.1036 -4.1036 -4.0050 -4.0050 -2.0420 -2.0420 -2.0413 -2.0413 0.5041 0.5041 0.5685 0.5685 1.4904 1.4904 1.7089 1.7089 2.2368 2.2368 2.2551 2.2551 2.6204 2.6204 4.0847 4.0847 4.1037 4.1037 4.1137 4.1137 4.2306 4.2306 4.4255 4.4255 4.4258 4.4258 4.5933 4.5933 4.6051 4.6051 5.0220 5.0220 10.8793 10.8793 10.8807 10.8807 11.9871 11.9871 12.0751 12.0751 12.6759 12.6759 13.9304 13.9304 k = 0.3333 0.5774 0.0493 ( 5175 PWs) bands (ev): -19.3208 -19.3208 -13.3303 -13.3303 -13.3102 -13.3102 -12.2083 -12.2083 -11.2293 -11.2293 -11.2256 -11.2256 -10.5822 -10.5822 -5.9777 -5.9777 -4.1111 -4.1111 -4.0124 -4.0124 -2.0348 -2.0348 -2.0326 -2.0326 0.5116 0.5116 0.5752 0.5752 1.4958 1.4958 1.7102 1.7102 2.2378 2.2378 2.2568 2.2568 2.6374 2.6374 4.0841 4.0841 4.1141 4.1141 4.1244 4.1244 4.2074 4.2074 4.4005 4.4005 4.4026 4.4026 4.5854 4.5854 4.5972 4.5972 5.0267 5.0267 10.8802 10.8802 10.8812 10.8812 12.0036 12.0036 12.0881 12.0881 12.6806 12.6806 13.9345 13.9345 k = 0.3333 0.5774 0.0658 ( 5163 PWs) bands (ev): -19.3207 -19.3207 -13.3301 -13.3301 -13.3100 -13.3100 -12.2117 -12.2117 -11.2294 -11.2294 -11.2255 -11.2255 -10.5767 -10.5767 -5.9814 -5.9814 -4.1177 -4.1177 -4.0192 -4.0192 -2.0285 -2.0285 -2.0236 -2.0236 0.5186 0.5186 0.5816 0.5816 1.4995 1.4995 1.7111 1.7111 2.2374 2.2374 2.2568 2.2568 2.6566 2.6566 4.0833 4.0833 4.1243 4.1243 4.1354 4.1354 4.1841 4.1841 4.3773 4.3773 4.3808 4.3808 4.5783 4.5783 4.5901 4.5901 5.0319 5.0319 10.8817 10.8817 10.8823 10.8823 12.0204 12.0204 12.1015 12.1015 12.6868 12.6868 13.9388 13.9388 k = 0.3333 0.5774 0.0822 ( 5163 PWs) bands (ev): -19.3207 -19.3207 -13.3298 -13.3298 -13.3098 -13.3098 -12.2150 -12.2150 -11.2297 -11.2297 -11.2258 -11.2258 -10.5714 -10.5714 -5.9845 -5.9845 -4.1234 -4.1234 -4.0254 -4.0254 -2.0225 -2.0225 -2.0150 -2.0150 0.5251 0.5251 0.5875 0.5875 1.5016 1.5016 1.7116 1.7116 2.2358 2.2358 2.2550 2.2550 2.6776 2.6776 4.0824 4.0824 4.1339 4.1339 4.1463 4.1463 4.1614 4.1614 4.3562 4.3562 4.3608 4.3608 4.5720 4.5720 4.5839 4.5839 5.0374 5.0374 10.8838 10.8838 10.8841 10.8841 12.0372 12.0372 12.1149 12.1149 12.6945 12.6945 13.9425 13.9425 k = 0.3333 0.5774 0.0986 ( 5163 PWs) bands (ev): -19.3206 -19.3206 -13.3294 -13.3294 -13.3094 -13.3094 -12.2182 -12.2182 -11.2304 -11.2304 -11.2264 -11.2264 -10.5664 -10.5664 -5.9872 -5.9872 -4.1282 -4.1282 -4.0307 -4.0307 -2.0169 -2.0169 -2.0069 -2.0069 0.5308 0.5308 0.5928 0.5928 1.5019 1.5019 1.7117 1.7117 2.2329 2.2329 2.2514 2.2514 2.7000 2.7000 4.0815 4.0815 4.1341 4.1341 4.1484 4.1484 4.1572 4.1572 4.3376 4.3376 4.3429 4.3429 4.5667 4.5667 4.5788 4.5788 5.0430 5.0430 10.8866 10.8866 10.8868 10.8868 12.0536 12.0536 12.1281 12.1281 12.7036 12.7036 13.9437 13.9440 k = 0.3333 0.5774 0.1151 ( 5169 PWs) bands (ev): -19.3205 -19.3205 -13.3289 -13.3289 -13.3088 -13.3088 -12.2212 -12.2212 -11.2313 -11.2313 -11.2274 -11.2274 -10.5617 -10.5617 -5.9892 -5.9892 -4.1320 -4.1320 -4.0353 -4.0353 -2.0118 -2.0118 -1.9993 -1.9993 0.5359 0.5359 0.5974 0.5974 1.5007 1.5007 1.7115 1.7115 2.2287 2.2287 2.2460 2.2460 2.7231 2.7231 4.0804 4.0804 4.1147 4.1147 4.1556 4.1556 4.1677 4.1677 4.3216 4.3216 4.3273 4.3273 4.5625 4.5625 4.5748 4.5748 5.0486 5.0486 10.8900 10.8900 10.8905 10.8905 12.0696 12.0696 12.1410 12.1410 12.7140 12.7140 13.9139 13.9141 k = 0.3333 0.5774 0.1315 ( 5163 PWs) bands (ev): -19.3204 -19.3204 -13.3283 -13.3283 -13.3082 -13.3082 -12.2241 -12.2241 -11.2324 -11.2324 -11.2286 -11.2286 -10.5574 -10.5574 -5.9907 -5.9907 -4.1348 -4.1348 -4.0390 -4.0390 -2.0071 -2.0071 -1.9925 -1.9925 0.5401 0.5401 0.6014 0.6014 1.4980 1.4980 1.7109 1.7109 2.2233 2.2233 2.2388 2.2388 2.7465 2.7465 4.0793 4.0793 4.0950 4.0950 4.1639 4.1639 4.1777 4.1777 4.3085 4.3085 4.3142 4.3142 4.5596 4.5596 4.5722 4.5722 5.0540 5.0540 10.8943 10.8943 10.8951 10.8951 12.0848 12.0848 12.1533 12.1533 12.7257 12.7257 13.8595 13.8595 k = 0.3333 0.5774 0.1480 ( 5160 PWs) bands (ev): -19.3203 -19.3203 -13.3275 -13.3275 -13.3074 -13.3074 -12.2268 -12.2268 -11.2338 -11.2338 -11.2301 -11.2301 -10.5535 -10.5535 -5.9916 -5.9916 -4.1365 -4.1365 -4.0417 -4.0417 -2.0030 -2.0030 -1.9863 -1.9863 0.5435 0.5435 0.6046 0.6046 1.4939 1.4939 1.7101 1.7101 2.2167 2.2167 2.2300 2.2300 2.7696 2.7696 4.0760 4.0760 4.0792 4.0792 4.1716 4.1716 4.1869 4.1869 4.2984 4.2984 4.3037 4.3037 4.5582 4.5582 4.5709 4.5709 5.0591 5.0591 10.8994 10.8994 10.9004 10.9004 12.0992 12.0992 12.1651 12.1651 12.7385 12.7385 13.8016 13.8016 k = 0.3333 0.5774 0.1644 ( 5160 PWs) bands (ev): -19.3202 -19.3202 -13.3267 -13.3267 -13.3065 -13.3065 -12.2292 -12.2292 -11.2354 -11.2354 -11.2318 -11.2318 -10.5501 -10.5501 -5.9918 -5.9918 -4.1371 -4.1371 -4.0435 -4.0435 -1.9995 -1.9995 -1.9810 -1.9810 0.5460 0.5460 0.6070 0.6070 1.4884 1.4884 1.7091 1.7091 2.2091 2.2091 2.2195 2.2195 2.7918 2.7918 4.0614 4.0614 4.0773 4.0773 4.1782 4.1782 4.1951 4.1951 4.2914 4.2914 4.2960 4.2960 4.5583 4.5583 4.5712 4.5712 5.0638 5.0638 10.9053 10.9053 10.9066 10.9066 12.1127 12.1127 12.1761 12.1761 12.7524 12.7524 13.7412 13.7412 k = 0.3333 0.5774 0.1809 ( 5154 PWs) bands (ev): -19.3201 -19.3201 -13.3258 -13.3258 -13.3055 -13.3055 -12.2314 -12.2314 -11.2372 -11.2372 -11.2338 -11.2338 -10.5472 -10.5472 -5.9914 -5.9914 -4.1367 -4.1367 -4.0444 -4.0444 -1.9966 -1.9966 -1.9765 -1.9765 0.5476 0.5476 0.6086 0.6086 1.4817 1.4817 1.7080 1.7080 2.2004 2.2004 2.2076 2.2076 2.8125 2.8125 4.0490 4.0490 4.0761 4.0761 4.1836 4.1836 4.2020 4.2020 4.2879 4.2879 4.2912 4.2912 4.5601 4.5601 4.5730 4.5730 5.0680 5.0680 10.9121 10.9121 10.9135 10.9135 12.1253 12.1253 12.1865 12.1865 12.7670 12.7670 13.6791 13.6791 k = 0.3333 0.5774 0.1973 ( 5163 PWs) bands (ev): -19.3200 -19.3200 -13.3248 -13.3248 -13.3045 -13.3045 -12.2333 -12.2333 -11.2391 -11.2391 -11.2361 -11.2361 -10.5449 -10.5449 -5.9903 -5.9903 -4.1352 -4.1352 -4.0443 -4.0443 -1.9945 -1.9945 -1.9729 -1.9729 0.5482 0.5482 0.6093 0.6093 1.4738 1.4738 1.7068 1.7068 2.1908 2.1908 2.1944 2.1944 2.8312 2.8312 4.0401 4.0401 4.0749 4.0749 4.1875 4.1875 4.2071 4.2071 4.2878 4.2878 4.2894 4.2894 4.5637 4.5637 4.5765 4.5765 5.0715 5.0715 10.9195 10.9195 10.9210 10.9210 12.1369 12.1369 12.1962 12.1962 12.7822 12.7822 13.6157 13.6157 k = 0.3333 0.5774 0.2137 ( 5151 PWs) bands (ev): -19.3199 -19.3199 -13.3238 -13.3238 -13.3033 -13.3033 -12.2349 -12.2349 -11.2412 -11.2412 -11.2385 -11.2385 -10.5432 -10.5432 -5.9887 -5.9887 -4.1327 -4.1327 -4.0432 -4.0432 -1.9930 -1.9930 -1.9703 -1.9703 0.5479 0.5479 0.6093 0.6093 1.4648 1.4648 1.7056 1.7056 2.1801 2.1801 2.1804 2.1804 2.8474 2.8474 4.0349 4.0349 4.0738 4.0738 4.1899 4.1899 4.2102 4.2102 4.2907 4.2907 4.2915 4.2915 4.5690 4.5690 4.5815 4.5815 5.0745 5.0745 10.9276 10.9276 10.9292 10.9292 12.1477 12.1477 12.2054 12.2054 12.7978 12.7978 13.5516 13.5516 k = 0.3333 0.5774 0.2302 ( 5136 PWs) bands (ev): -19.3198 -19.3198 -13.3227 -13.3227 -13.3021 -13.3021 -12.2361 -12.2361 -11.2434 -11.2434 -11.2410 -11.2410 -10.5420 -10.5420 -5.9865 -5.9865 -4.1291 -4.1291 -4.0412 -4.0412 -1.9922 -1.9922 -1.9687 -1.9687 0.5466 0.5466 0.6084 0.6084 1.4549 1.4549 1.7044 1.7044 2.1650 2.1650 2.1694 2.1694 2.8607 2.8607 4.0336 4.0336 4.0727 4.0727 4.1906 4.1906 4.2113 4.2113 4.2952 4.2952 4.2989 4.2989 4.5759 4.5759 4.5879 4.5879 5.0767 5.0767 10.9361 10.9361 10.9378 10.9378 12.1577 12.1577 12.2140 12.2140 12.8136 12.8136 13.4871 13.4871 k = 0.3333 0.5774 0.2466 ( 5145 PWs) bands (ev): -19.3198 -19.3198 -13.3216 -13.3216 -13.3009 -13.3009 -12.2370 -12.2370 -11.2458 -11.2458 -11.2437 -11.2437 -10.5415 -10.5415 -5.9837 -5.9837 -4.1246 -4.1246 -4.0382 -4.0382 -1.9922 -1.9922 -1.9681 -1.9681 0.5443 0.5443 0.6066 0.6066 1.4441 1.4441 1.7033 1.7033 2.1492 2.1492 2.1580 2.1580 2.8711 2.8711 4.0364 4.0364 4.0716 4.0716 4.1897 4.1897 4.2104 4.2104 4.3028 4.3028 4.3097 4.3097 4.5845 4.5845 4.5956 4.5956 5.0783 5.0783 10.9449 10.9449 10.9467 10.9467 12.1672 12.1672 12.2223 12.2223 12.8293 12.8293 13.4224 13.4224 k = 0.3333 0.5774 0.2631 ( 5157 PWs) bands (ev): -19.3197 -19.3197 -13.3205 -13.3205 -13.2996 -13.2996 -12.2376 -12.2376 -11.2482 -11.2482 -11.2465 -11.2465 -10.5416 -10.5416 -5.9804 -5.9804 -4.1192 -4.1192 -4.0344 -4.0344 -1.9929 -1.9929 -1.9685 -1.9685 0.5412 0.5412 0.6041 0.6041 1.4326 1.4326 1.7021 1.7021 2.1331 2.1331 2.1462 2.1462 2.8783 2.8783 4.0431 4.0431 4.0707 4.0707 4.1873 4.1873 4.2078 4.2078 4.3133 4.3133 4.3234 4.3234 4.5943 4.5943 4.6045 4.6045 5.0791 5.0791 10.9538 10.9538 10.9557 10.9557 12.1762 12.1762 12.2305 12.2305 12.8447 12.8447 13.3578 13.3578 k = 0.3333 0.5774 0.2795 ( 5139 PWs) bands (ev): -19.3196 -19.3196 -13.3193 -13.3193 -13.2984 -13.2984 -12.2377 -12.2377 -11.2506 -11.2506 -11.2493 -11.2493 -10.5424 -10.5424 -5.9765 -5.9765 -4.1129 -4.1129 -4.0296 -4.0296 -1.9944 -1.9944 -1.9700 -1.9700 0.5372 0.5372 0.6008 0.6008 1.4205 1.4205 1.7011 1.7011 2.1169 2.1169 2.1343 2.1343 2.8823 2.8823 4.0536 4.0536 4.0698 4.0698 4.1835 4.1835 4.2039 4.2039 4.3266 4.3266 4.3398 4.3398 4.6055 4.6055 4.6143 4.6143 5.0793 5.0793 10.9626 10.9626 10.9646 10.9646 12.1851 12.1851 12.2387 12.2387 12.8594 12.8594 13.2936 13.2936 k = 0.3333 0.5774 0.2959 ( 5130 PWs) bands (ev): -19.3196 -19.3196 -13.3182 -13.3182 -13.2971 -13.2971 -12.2376 -12.2376 -11.2530 -11.2530 -11.2522 -11.2522 -10.5437 -10.5437 -5.9723 -5.9723 -4.1058 -4.1058 -4.0241 -4.0241 -1.9966 -1.9966 -1.9726 -1.9726 0.5324 0.5324 0.5968 0.5968 1.4078 1.4078 1.7001 1.7001 2.1008 2.1008 2.1224 2.1224 2.8835 2.8835 4.0664 4.0664 4.0701 4.0701 4.1787 4.1787 4.1989 4.1989 4.3424 4.3424 4.3583 4.3583 4.6175 4.6175 4.6248 4.6248 5.0788 5.0788 10.9711 10.9711 10.9733 10.9733 12.1941 12.1941 12.2472 12.2472 12.8732 12.8732 13.2301 13.2301 k = 0.3333 0.5774 0.3124 ( 5148 PWs) bands (ev): -19.3195 -19.3195 -13.3171 -13.3171 -13.2958 -13.2958 -12.2370 -12.2370 -11.2554 -11.2554 -11.2550 -11.2550 -10.5456 -10.5456 -5.9676 -5.9676 -4.0980 -4.0980 -4.0178 -4.0178 -1.9996 -1.9996 -1.9762 -1.9762 0.5268 0.5268 0.5921 0.5921 1.3948 1.3948 1.6991 1.6991 2.0852 2.0852 2.1108 2.1108 2.8819 2.8819 4.0679 4.0679 4.0847 4.0847 4.1729 4.1729 4.1930 4.1930 4.3604 4.3604 4.3787 4.3787 4.6304 4.6304 4.6358 4.6358 5.0778 5.0778 10.9790 10.9790 10.9815 10.9815 12.2035 12.2035 12.2562 12.2562 12.8858 12.8858 13.1673 13.1673 k = 0.3333 0.5774 0.3288 ( 5154 PWs) bands (ev): -19.3195 -19.3195 -13.3160 -13.3160 -13.2946 -13.2946 -12.2361 -12.2361 -11.2578 -11.2578 -11.2578 -11.2578 -10.5481 -10.5481 -5.9626 -5.9626 -4.0895 -4.0895 -4.0109 -4.0109 -2.0032 -2.0032 -1.9808 -1.9808 0.5205 0.5205 0.5868 0.5868 1.3816 1.3816 1.6981 1.6981 2.0702 2.0702 2.0996 2.0996 2.8780 2.8780 4.0674 4.0674 4.1037 4.1037 4.1666 4.1666 4.1864 4.1864 4.3803 4.3803 4.4005 4.4005 4.6440 4.6440 4.6472 4.6472 5.0763 5.0763 10.9861 10.9861 10.9890 10.9890 12.2135 12.2135 12.2660 12.2660 12.8969 12.8969 13.1055 13.1055 k = 0.3333 0.5774 0.3453 ( 5163 PWs) bands (ev): -19.3194 -19.3194 -13.3150 -13.3150 -13.2935 -13.2935 -12.2349 -12.2349 -11.2605 -11.2605 -11.2600 -11.2600 -10.5511 -10.5511 -5.9574 -5.9574 -4.0805 -4.0805 -4.0033 -4.0033 -2.0075 -2.0075 -1.9865 -1.9865 0.5136 0.5136 0.5809 0.5809 1.3682 1.3682 1.6972 1.6972 2.0560 2.0560 2.0889 2.0889 2.8720 2.8720 4.0669 4.0669 4.1242 4.1242 4.1603 4.1603 4.1792 4.1792 4.4018 4.4018 4.4235 4.4235 4.6579 4.6579 4.6587 4.6587 5.0744 5.0744 10.9922 10.9922 10.9956 10.9956 12.2244 12.2244 12.2767 12.2767 12.9062 12.9062 13.0450 13.0450 k = 0.3333 0.5774 0.3617 ( 5166 PWs) bands (ev): -19.3194 -19.3194 -13.3140 -13.3140 -13.2924 -13.2924 -12.2333 -12.2333 -11.2631 -11.2631 -11.2622 -11.2622 -10.5547 -10.5547 -5.9519 -5.9519 -4.0710 -4.0710 -3.9953 -3.9953 -2.0124 -2.0124 -1.9930 -1.9930 0.5062 0.5062 0.5746 0.5746 1.3548 1.3548 1.6963 1.6963 2.0429 2.0429 2.0790 2.0790 2.8644 2.8644 4.0665 4.0665 4.1412 4.1412 4.1583 4.1583 4.1715 4.1715 4.4246 4.4246 4.4474 4.4474 4.6702 4.6702 4.6722 4.6722 5.0722 5.0722 10.9970 10.9970 11.0011 11.0011 12.2364 12.2364 12.2886 12.2886 12.9129 12.9129 12.9860 12.9860 k = 0.3333 0.5774 0.3782 ( 5154 PWs) bands (ev): -19.3194 -19.3194 -13.3132 -13.3132 -13.2914 -13.2914 -12.2315 -12.2315 -11.2656 -11.2656 -11.2642 -11.2642 -10.5587 -10.5587 -5.9463 -5.9463 -4.0611 -4.0611 -3.9868 -3.9868 -2.0179 -2.0179 -2.0004 -2.0004 0.4983 0.4983 0.5679 0.5679 1.3415 1.3415 1.6954 1.6954 2.0310 2.0310 2.0699 2.0699 2.8554 2.8554 4.0662 4.0662 4.1401 4.1401 4.1635 4.1635 4.1750 4.1750 4.4484 4.4484 4.4716 4.4716 4.6815 4.6815 4.6868 4.6868 5.0698 5.0698 11.0004 11.0004 11.0053 11.0053 12.2497 12.2497 12.3019 12.3019 12.9158 12.9158 12.9288 12.9288 k = 0.3333 0.5774 0.3946 ( 5163 PWs) bands (ev): -19.3194 -19.3194 -13.3124 -13.3124 -13.2905 -13.2905 -12.2293 -12.2293 -11.2678 -11.2678 -11.2660 -11.2660 -10.5631 -10.5631 -5.9406 -5.9406 -4.0510 -4.0510 -3.9780 -3.9780 -2.0238 -2.0238 -2.0087 -2.0087 0.4902 0.4902 0.5608 0.5608 1.3285 1.3285 1.6945 1.6945 2.0204 2.0204 2.0618 2.0618 2.8454 2.8454 4.0660 4.0660 4.1328 4.1328 4.1552 4.1552 4.1979 4.1979 4.4728 4.4728 4.4958 4.4958 4.6926 4.6926 4.7014 4.7014 5.0674 5.0674 11.0023 11.0023 11.0080 11.0080 12.2644 12.2644 12.3165 12.3165 12.8736 12.8736 12.9111 12.9111 k = 0.3333 0.5774 0.4110 ( 5145 PWs) bands (ev): -19.3194 -19.3194 -13.3117 -13.3117 -13.2896 -13.2896 -12.2268 -12.2268 -11.2698 -11.2698 -11.2676 -11.2676 -10.5678 -10.5678 -5.9349 -5.9349 -4.0408 -4.0408 -3.9690 -3.9690 -2.0302 -2.0302 -2.0176 -2.0176 0.4818 0.4818 0.5536 0.5536 1.3158 1.3158 1.6936 1.6936 2.0113 2.0113 2.0547 2.0547 2.8347 2.8347 4.0660 4.0660 4.1246 4.1246 4.1468 4.1468 4.2213 4.2213 4.4975 4.4975 4.5198 4.5198 4.7033 4.7033 4.7162 4.7162 5.0651 5.0651 11.0025 11.0025 11.0093 11.0093 12.2802 12.2802 12.3324 12.3324 12.8211 12.8211 12.8903 12.8903 k = 0.3333 0.5774 0.4275 ( 5133 PWs) bands (ev): -19.3194 -19.3194 -13.3111 -13.3111 -13.2890 -13.2890 -12.2241 -12.2241 -11.2716 -11.2716 -11.2691 -11.2691 -10.5729 -10.5729 -5.9293 -5.9293 -4.0306 -4.0306 -3.9599 -3.9599 -2.0369 -2.0369 -2.0271 -2.0271 0.4733 0.4733 0.5462 0.5462 1.3037 1.3037 1.6928 1.6928 2.0038 2.0038 2.0488 2.0488 2.8234 2.8234 4.0661 4.0661 4.1162 4.1162 4.1382 4.1382 4.2443 4.2443 4.5221 4.5221 4.5429 4.5429 4.7136 4.7136 4.7309 4.7309 5.0630 5.0630 11.0010 11.0010 11.0090 11.0090 12.2967 12.2967 12.3492 12.3492 12.7717 12.7717 12.8540 12.8540 k = 0.3333 0.5774 0.4439 ( 5136 PWs) bands (ev): -19.3194 -19.3194 -13.3106 -13.3106 -13.2884 -13.2884 -12.2212 -12.2212 -11.2732 -11.2732 -11.2703 -11.2703 -10.5782 -10.5782 -5.9238 -5.9238 -4.0205 -4.0205 -3.9508 -3.9508 -2.0439 -2.0439 -2.0371 -2.0371 0.4647 0.4647 0.5387 0.5387 1.2922 1.2922 1.6920 1.6920 1.9979 1.9979 2.0441 2.0441 2.8118 2.8118 4.0663 4.0663 4.1078 4.1078 4.1297 4.1297 4.2665 4.2665 4.5463 4.5463 4.5650 4.5650 4.7235 4.7235 4.7457 4.7457 5.0612 5.0612 10.9978 10.9978 11.0071 11.0071 12.3132 12.3132 12.3664 12.3664 12.7266 12.7266 12.8137 12.8137 k = 0.3333 0.5774 0.4604 ( 5136 PWs) bands (ev): -19.3195 -19.3195 -13.3103 -13.3103 -13.2880 -13.2880 -12.2181 -12.2181 -11.2745 -11.2745 -11.2712 -11.2712 -10.5837 -10.5837 -5.9186 -5.9186 -4.0106 -4.0106 -3.9419 -3.9419 -2.0511 -2.0511 -2.0474 -2.0474 0.4563 0.4563 0.5313 0.5313 1.2815 1.2815 1.6912 1.6912 1.9936 1.9936 2.0406 2.0406 2.8000 2.8000 4.0666 4.0666 4.0994 4.0994 4.1212 4.1212 4.2874 4.2874 4.5697 4.5697 4.5857 4.5857 4.7328 4.7328 4.7603 4.7603 5.0598 5.0598 10.9932 10.9932 11.0037 11.0037 12.3281 12.3281 12.3829 12.3829 12.6875 12.6875 12.7758 12.7758 Writing output data file BaxSbO3x2.save init_run : 0.36s CPU 0.51s WALL ( 1 calls) electrons : 326.05s CPU 330.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 326.05s CPU 330.18s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.08s WALL ( 283 calls) cegterg : 310.42s CPU 313.99s WALL ( 682 calls) Called by sum_band: Called by *egterg: h_psi : 162.76s CPU 165.22s WALL ( 11900 calls) s_psi : 11.14s CPU 11.51s WALL ( 11900 calls) g_psi : 0.47s CPU 0.45s WALL ( 10935 calls) cdiaghg : 111.11s CPU 112.56s WALL ( 11218 calls) cegterg:over : 14.24s CPU 14.01s WALL ( 10935 calls) cegterg:upda : 12.23s CPU 12.22s WALL ( 10935 calls) cegterg:last : 5.82s CPU 5.79s WALL ( 1531 calls) cdiaghg:chol : 6.36s CPU 6.45s WALL ( 11218 calls) cdiaghg:inve : 4.53s CPU 4.59s WALL ( 11218 calls) cdiaghg:para : 7.18s CPU 7.36s WALL ( 22436 calls) Called by h_psi: h_psi:vloc : 137.71s CPU 140.09s WALL ( 11900 calls) h_psi:vnl : 24.48s CPU 24.60s WALL ( 11900 calls) add_vuspsi : 12.52s CPU 12.55s WALL ( 11900 calls) General routines calbec : 11.90s CPU 12.02s WALL ( 11900 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.95s CPU 131.20s WALL ( 1256444 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.25s WALL ( 566 calls) Parallel routines fft_scatter : 42.33s CPU 43.37s WALL ( 1256467 calls) PWSCF : 5m46.19s CPU 6m 2.18s WALL This run was terminated on: 14: 6:45 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=